The material described by Zr4N2O5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(5), one N(6), one O(10), one O(18), one O(19), and one O(7) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Zr site, Zr(2) is bonded to one N(3), one N(4), one O(18), one O(20), one O(3), one O(7), and one O(8) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the third Zr site, Zr(3) is bonded to one N(2), one N(6), one O(12), one O(4), one O(5), and one O(8) atom to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. In the fourth Zr site, Zr(4) is bonded to one N(5), one N(7), one O(1), one O(5), one O(7), one O(8), and one O(9) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(15)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the fifth Zr site, Zr(5) is bonded to one N(1), one N(2), one O(1), one O(10), one O(2), one O(4), and one O(6) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the sixth Zr site, Zr(6) is bonded in a body-centered cubic geometry to one N(4), one N(5), one O(1), one O(11), one O(13), one O(19), one O(2), and one O(20) atom. In the seventh Zr site, Zr(7) is bonded to one N(4), one O(10), one O(12), one O(14), one O(19), one O(3), and one O(4) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the eighth Zr site, Zr(8) is bonded to one N(3), one O(11), one O(12), one O(13), one O(3), one O(5), and one O(6) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the ninth Zr site, Zr(9) is bonded to one N(2), one N(8), one O(11), one O(15), one O(18), one O(20), and one O(6) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the tenth Zr site, Zr(10) is bonded to one N(6), one N(8), one O(11), one O(17), one O(19), one O(5), and one O(9) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the eleventh Zr site, Zr(11) is bonded in a body-centered cubic geometry to one N(3), one O(10), one O(14), one O(15), one O(17), one O(6), one O(7), and one O(9) atom. In the twelfth Zr site, Zr(12) is bonded to one N(2), one N(4), one N(8), one O(1), one O(14), one O(16), and one O(9) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the thirteenth Zr site, Zr(13) is bonded to one N(1), one N(3), one N(6), one O(13), one O(16), one O(17), and one O(2) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the fourteenth Zr site, Zr(14) is bonded to one N(5), one N(7), one O(12), one O(13), one O(14), one O(15), and one O(16) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the fifteenth Zr site, Zr(15) is bonded to one N(7), one O(15), one O(17), one O(2), one O(20), one O(4), and one O(8) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid, and  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the sixteenth Zr site, Zr(16) is bonded to one N(1), one N(7), one N(8), one O(16), one O(18), and one O(3) atom to form ZrN3O3 octahedra that share  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(13), one Zr(16), and one Zr(5) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the second N site, N(2) is bonded to one Zr(12), one Zr(3), one Zr(5), and one Zr(9) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to one Zr(11), one Zr(13), one Zr(2), and one Zr(8) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded to one Zr(12), one Zr(2), one Zr(6), and one Zr(7) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fifth N site, N(5) is bonded to one Zr(1), one Zr(14), one Zr(4), and one Zr(6) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zr(1), one Zr(10), one Zr(13), and one Zr(3) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. In the seventh N site, N(7) is bonded to one Zr(14), one Zr(15), one Zr(16), and one Zr(4) atom to form NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded to one Zr(10), one Zr(12), one Zr(16), and one Zr(9) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(9)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Zr(12), one Zr(4), one Zr(5), and one Zr(6) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(13), one Zr(15), one Zr(5), and one Zr(6) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the third O site, O(3) is bonded to one Zr(16), one Zr(2), one Zr(7), and one Zr(8) atom to form OZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Zr(15), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(10), one Zr(3), one Zr(4), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one Zr(11), one Zr(5), one Zr(8), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the seventh O site, O(7) is bonded to one Zr(1), one Zr(11), one Zr(2), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to one Zr(15), one Zr(2), one Zr(3), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra,  an edgeedge with one N(7)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the ninth O site, O(9) is bonded to one Zr(10), one Zr(11), one Zr(12), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(7)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1), one Zr(11), one Zr(5), and one Zr(7) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Zr(10), one Zr(6), one Zr(8), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(6)Zr4 tetrahedra. In the twelfth O site, O(12) is bonded to one Zr(14), one Zr(3), one Zr(7), and one Zr(8) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Zr(13), one Zr(14), one Zr(6), and one Zr(8) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Zr(11), one Zr(12), one Zr(14), and one Zr(7) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(9)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Zr(11), one Zr(14), one Zr(15), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Zr(12), one Zr(13), one Zr(14), and one Zr(16) atom to form OZr4 trigonal pyramids that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Zr(10), one Zr(11), one Zr(13), and one Zr(15) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Zr(1), one Zr(16), one Zr(2), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Zr(1), one Zr(10), one Zr(6), and one Zr(7) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(11)Zr4 tetrahedra. In the twentieth O site, O(20) is bonded to one Zr(15), one Zr(2), one Zr(6), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.896
_cell_length_b   8.897
_cell_length_c   8.907
_cell_angle_alpha   109.374
_cell_angle_beta   109.368
_cell_angle_gamma   109.583
_symmetry_Int_Tables_number   1
_cell_volume   543.236
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.217  0.001  0.730  1.0
  Zr  Zr1  1  0.715  0.213  0.960  1.0
  Zr  Zr2  1  0.964  0.465  0.500  1.0
  Zr  Zr3  1  0.474  0.209  0.206  1.0
  Zr  Zr4  1  0.201  0.243  0.499  1.0
  Zr  Zr5  1  0.004  0.006  0.000  1.0
  Zr  Zr6  1  0.014  0.275  0.797  1.0
  Zr  Zr7  1  0.772  0.512  0.795  1.0
  Zr  Zr8  1  0.501  0.721  0.724  1.0
  Zr  Zr9  1  0.743  0.699  0.499  1.0
  Zr  Zr10  1  0.509  0.494  0.001  1.0
  Zr  Zr11  1  0.271  0.487  0.266  1.0
  Zr  Zr12  1  0.988  0.772  0.270  1.0
  Zr  Zr13  1  0.254  0.760  0.046  1.0
  Zr  Zr14  1  0.716  0.981  0.212  1.0
  Zr  Zr15  1  0.454  0.955  0.494  1.0
  N  N16  1  0.250  0.023  0.501  1.0
  N  N17  1  0.214  0.498  0.502  1.0
  N  N18  1  0.765  0.496  0.030  1.0
  N  N19  1  0.997  0.263  0.029  1.0
  N  N20  1  0.230  0.966  0.967  1.0
  N  N21  1  0.995  0.713  0.499  1.0
  N  N22  1  0.501  0.999  0.282  1.0
  N  N23  1  0.521  0.748  0.500  1.0
  O  O24  1  0.273  0.239  0.277  1.0
  O  O25  1  0.976  0.006  0.240  1.0
  O  O26  1  0.717  0.217  0.716  1.0
  O  O27  1  0.939  0.201  0.499  1.0
  O  O28  1  0.703  0.441  0.502  1.0
  O  O29  1  0.499  0.466  0.728  1.0
  O  O30  1  0.477  0.231  0.971  1.0
  O  O31  1  0.751  0.252  0.229  1.0
  O  O32  1  0.506  0.474  0.239  1.0
  O  O33  1  0.237  0.267  0.762  1.0
  O  O34  1  0.767  0.738  0.762  1.0
  O  O35  1  0.017  0.517  0.770  1.0
  O  O36  1  0.006  0.760  0.029  1.0
  O  O37  1  0.265  0.511  0.030  1.0
  O  O38  1  0.463  0.732  0.966  1.0
  O  O39  1  0.205  0.705  0.262  1.0
  O  O40  1  0.732  0.769  0.269  1.0
  O  O41  1  0.448  0.947  0.741  1.0
  O  O42  1  0.960  0.997  0.721  1.0
  O  O43  1  0.727  0.974  0.975  1.0
[/CIF]
.
The material described by Zr4N2O5 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one N(1), one N(5), one N(6), one O(10), one O(18), one O(19), and one O(7) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Zr site, Zr(2) is bonded to one N(3), one N(4), one O(18), one O(20), one O(3), one O(7), and one O(8) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 49°. In the third Zr site, Zr(3) is bonded to one N(2), one N(6), one O(12), one O(4), one O(5), and one O(8) atom to form distorted ZrN2O4 octahedra that share  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. In the fourth Zr site, Zr(4) is bonded to one N(5), one N(7), one O(1), one O(5), one O(7), one O(8), and one O(9) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(15)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the fifth Zr site, Zr(5) is bonded to one N(1), one N(2), one O(1), one O(10), one O(2), one O(4), and one O(6) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the sixth Zr site, Zr(6) is bonded in a body-centered cubic geometry to one N(4), one N(5), one O(1), one O(11), one O(13), one O(19), one O(2), and one O(20) atom. In the seventh Zr site, Zr(7) is bonded to one N(4), one O(10), one O(12), one O(14), one O(19), one O(3), and one O(4) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the eighth Zr site, Zr(8) is bonded to one N(3), one O(11), one O(12), one O(13), one O(3), one O(5), and one O(6) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the ninth Zr site, Zr(9) is bonded to one N(2), one N(8), one O(11), one O(15), one O(18), one O(20), and one O(6) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(14)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the tenth Zr site, Zr(10) is bonded to one N(6), one N(8), one O(11), one O(17), one O(19), one O(5), and one O(9) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 45°. In the eleventh Zr site, Zr(11) is bonded in a body-centered cubic geometry to one N(3), one O(10), one O(14), one O(15), one O(17), one O(6), one O(7), and one O(9) atom. In the twelfth Zr site, Zr(12) is bonded to one N(2), one N(4), one N(8), one O(1), one O(14), one O(16), and one O(9) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid, and  an edgeedge with one Zr(7)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the thirteenth Zr site, Zr(13) is bonded to one N(1), one N(3), one N(6), one O(13), one O(16), one O(17), and one O(2) atom to form distorted ZrN3O4 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(2)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(10)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 54°. In the fourteenth Zr site, Zr(14) is bonded to one N(5), one N(7), one O(12), one O(13), one O(14), one O(15), and one O(16) atom to form distorted ZrN2O5 pentagonal bipyramids that share  a cornercorner with one Zr(3)N2O4 octahedra,  a cornercorner with one Zr(9)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(16)N3O3 octahedra,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(15)NO6 pentagonal bipyramid,  an edgeedge with one Zr(7)NO6 pentagonal bipyramid, and  an edgeedge with one Zr(8)NO6 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 51°. In the fifteenth Zr site, Zr(15) is bonded to one N(7), one O(15), one O(17), one O(2), one O(20), one O(4), and one O(8) atom to form distorted ZrNO6 pentagonal bipyramids that share  a cornercorner with one Zr(16)N3O3 octahedra,  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  an edgeedge with one Zr(3)N2O4 octahedra,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(4)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(5)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid, and  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the sixteenth Zr site, Zr(16) is bonded to one N(1), one N(7), one N(8), one O(16), one O(18), and one O(3) atom to form ZrN3O3 octahedra that share  a cornercorner with one Zr(10)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(4)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(5)N2O5 pentagonal bipyramid,  a cornercorner with one Zr(15)NO6 pentagonal bipyramid,  a cornercorner with one Zr(7)NO6 pentagonal bipyramid,  a cornercorner with one Zr(8)NO6 pentagonal bipyramid,  an edgeedge with one Zr(14)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(2)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(9)N2O5 pentagonal bipyramid,  an edgeedge with one Zr(1)N3O4 pentagonal bipyramid,  an edgeedge with one Zr(12)N3O4 pentagonal bipyramid, and  an edgeedge with one Zr(13)N3O4 pentagonal bipyramid. There are eight inequivalent N sites. In the first N site, N(1) is bonded to one Zr(1), one Zr(13), one Zr(16), and one Zr(5) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the second N site, N(2) is bonded to one Zr(12), one Zr(3), one Zr(5), and one Zr(9) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the third N site, N(3) is bonded to one Zr(11), one Zr(13), one Zr(2), and one Zr(8) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fourth N site, N(4) is bonded to one Zr(12), one Zr(2), one Zr(6), and one Zr(7) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the fifth N site, N(5) is bonded to one Zr(1), one Zr(14), one Zr(4), and one Zr(6) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the sixth N site, N(6) is bonded to one Zr(1), one Zr(10), one Zr(13), and one Zr(3) atom to form NZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. In the seventh N site, N(7) is bonded to one Zr(14), one Zr(15), one Zr(16), and one Zr(4) atom to form NZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the eighth N site, N(8) is bonded to one Zr(10), one Zr(12), one Zr(16), and one Zr(9) atom to form NZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(9)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Zr(12), one Zr(4), one Zr(5), and one Zr(6) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(13), one Zr(15), one Zr(5), and one Zr(6) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the third O site, O(3) is bonded to one Zr(16), one Zr(2), one Zr(7), and one Zr(8) atom to form OZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the fourth O site, O(4) is bonded to one Zr(15), one Zr(3), one Zr(5), and one Zr(7) atom to form distorted OZr4 trigonal pyramids that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(10), one Zr(3), one Zr(4), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the sixth O site, O(6) is bonded to one Zr(11), one Zr(5), one Zr(8), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(2)Zr4 tetrahedra,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the seventh O site, O(7) is bonded to one Zr(1), one Zr(11), one Zr(2), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eighth O site, O(8) is bonded to one Zr(15), one Zr(2), one Zr(3), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra,  an edgeedge with one N(7)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the ninth O site, O(9) is bonded to one Zr(10), one Zr(11), one Zr(12), and one Zr(4) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(7)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1), one Zr(11), one Zr(5), and one Zr(7) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Zr(10), one Zr(6), one Zr(8), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(19)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(6)Zr4 tetrahedra. In the twelfth O site, O(12) is bonded to one Zr(14), one Zr(3), one Zr(7), and one Zr(8) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra,  an edgeedge with one O(3)Zr4 trigonal pyramid, and  an edgeedge with one O(4)Zr4 trigonal pyramid. In the thirteenth O site, O(13) is bonded to one Zr(13), one Zr(14), one Zr(6), and one Zr(8) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Zr(11), one Zr(12), one Zr(14), and one Zr(7) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(12)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(9)Zr4 tetrahedra, and  an edgeedge with one O(16)Zr4 trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Zr(11), one Zr(14), one Zr(15), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one O(14)Zr4 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(6)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Zr(12), one Zr(13), one Zr(14), and one Zr(16) atom to form OZr4 trigonal pyramids that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(13)Zr4 tetrahedra,  an edgeedge with one O(14)Zr4 tetrahedra, and  an edgeedge with one N(7)Zr4 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Zr(10), one Zr(11), one Zr(13), and one Zr(15) atom to form OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(3)Zr4 tetrahedra,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Zr(1), one Zr(16), one Zr(2), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(4)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(6)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(11)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(16)Zr4 trigonal pyramid,  an edgeedge with one N(1)Zr4 tetrahedra,  an edgeedge with one N(8)Zr4 tetrahedra,  an edgeedge with one O(20)Zr4 tetrahedra,  an edgeedge with one O(7)Zr4 tetrahedra, and  an edgeedge with one O(3)Zr4 trigonal pyramid. In the nineteenth O site, O(19) is bonded to one Zr(1), one Zr(10), one Zr(6), and one Zr(7) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one N(1)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(12)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(14)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(20)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one N(5)Zr4 tetrahedra,  an edgeedge with one N(6)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(11)Zr4 tetrahedra. In the twentieth O site, O(20) is bonded to one Zr(15), one Zr(2), one Zr(6), and one Zr(9) atom to form OZr4 tetrahedra that share  a cornercorner with one N(2)Zr4 tetrahedra,  a cornercorner with one N(3)Zr4 tetrahedra,  a cornercorner with one N(5)Zr4 tetrahedra,  a cornercorner with one N(8)Zr4 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(13)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(19)Zr4 tetrahedra,  a cornercorner with one O(6)Zr4 tetrahedra,  a cornercorner with one O(7)Zr4 tetrahedra,  a cornercorner with one N(7)Zr4 trigonal pyramid,  a cornercorner with one O(3)Zr4 trigonal pyramid,  a cornercorner with one O(4)Zr4 trigonal pyramid,  an edgeedge with one N(4)Zr4 tetrahedra,  an edgeedge with one O(11)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra,  an edgeedge with one O(18)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr4N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.896
_cell_length_b   8.897
_cell_length_c   8.907
_cell_angle_alpha   109.374
_cell_angle_beta   109.368
_cell_angle_gamma   109.583
_symmetry_Int_Tables_number   1
_cell_volume   543.236
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.217  0.001  0.730  1.0
  Zr  Zr1  1  0.715  0.213  0.960  1.0
  Zr  Zr2  1  0.964  0.465  0.500  1.0
  Zr  Zr3  1  0.474  0.209  0.206  1.0
  Zr  Zr4  1  0.201  0.243  0.499  1.0
  Zr  Zr5  1  0.004  0.006  0.000  1.0
  Zr  Zr6  1  0.014  0.275  0.797  1.0
  Zr  Zr7  1  0.772  0.512  0.795  1.0
  Zr  Zr8  1  0.501  0.721  0.724  1.0
  Zr  Zr9  1  0.743  0.699  0.499  1.0
  Zr  Zr10  1  0.509  0.494  0.001  1.0
  Zr  Zr11  1  0.271  0.487  0.266  1.0
  Zr  Zr12  1  0.988  0.772  0.270  1.0
  Zr  Zr13  1  0.254  0.760  0.046  1.0
  Zr  Zr14  1  0.716  0.981  0.212  1.0
  Zr  Zr15  1  0.454  0.955  0.494  1.0
  N  N16  1  0.250  0.023  0.501  1.0
  N  N17  1  0.214  0.498  0.502  1.0
  N  N18  1  0.765  0.496  0.030  1.0
  N  N19  1  0.997  0.263  0.029  1.0
  N  N20  1  0.230  0.966  0.967  1.0
  N  N21  1  0.995  0.713  0.499  1.0
  N  N22  1  0.501  0.999  0.282  1.0
  N  N23  1  0.521  0.748  0.500  1.0
  O  O24  1  0.273  0.239  0.277  1.0
  O  O25  1  0.976  0.006  0.240  1.0
  O  O26  1  0.717  0.217  0.716  1.0
  O  O27  1  0.939  0.201  0.499  1.0
  O  O28  1  0.703  0.441  0.502  1.0
  O  O29  1  0.499  0.466  0.728  1.0
  O  O30  1  0.477  0.231  0.971  1.0
  O  O31  1  0.751  0.252  0.229  1.0
  O  O32  1  0.506  0.474  0.239  1.0
  O  O33  1  0.237  0.267  0.762  1.0
  O  O34  1  0.767  0.738  0.762  1.0
  O  O35  1  0.017  0.517  0.770  1.0
  O  O36  1  0.006  0.760  0.029  1.0
  O  O37  1  0.265  0.511  0.030  1.0
  O  O38  1  0.463  0.732  0.966  1.0
  O  O39  1  0.205  0.705  0.262  1.0
  O  O40  1  0.732  0.769  0.269  1.0
  O  O41  1  0.448  0.947  0.741  1.0
  O  O42  1  0.960  0.997  0.721  1.0
  O  O43  1  0.727  0.974  0.975  1.0
[/CIF]
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