The material structure described by NdZr9O20 crystallizes in the triclinic P1 space group. Nd(1) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(13), one O(14), one O(16), one O(19), one O(20), and one O(7) atom. There are nine inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(10), one O(15), one O(19), one O(2), one O(20), one O(4), and one O(9) atom. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(15), one O(16), one O(20), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to one O(1), one O(10), one O(13), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to one O(10), one O(12), one O(17), one O(18), one O(3), one O(7), one O(8), and one O(9) atom. In the sixth Zr site, Zr(6) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(17), one O(3), and one O(4) atom. In the seventh Zr site, Zr(7) is bonded in a distorted body-centered cubic geometry to one O(14), one O(15), one O(16), one O(17), one O(18), one O(19), one O(7), and one O(8) atom. In the eighth Zr site, Zr(8) is bonded in a distorted body-centered cubic geometry to one O(11), one O(15), one O(16), one O(17), one O(18), one O(2), one O(5), and one O(6) atom. In the ninth Zr site, Zr(9) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(2), one O(20), and one O(5) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 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, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Zr(4), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Zr(5), and one Zr(6) atom. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(6) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(10)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(2), one Zr(3), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Zr(4), and one Zr(8) atom. In the seventh O site, O(7) is bonded to one Nd(1), one Zr(4), one Zr(5), and one Zr(7) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)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(3), one Zr(4), one Zr(5), and one Zr(7) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the ninth O site, O(9) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Zr(5) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1), one Zr(4), one Zr(5), and one Zr(6) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eleventh O site, O(11) is bonded to one Nd(1), one Zr(6), one Zr(8), and one Zr(9) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. In the twelfth O site, O(12) is bonded to one Nd(1), one Zr(5), one Zr(6), and one Zr(9) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)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, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Nd(1), one Zr(3), one Zr(4), and one Zr(6) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(10)Zr4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Nd(1), one Zr(3), one Zr(6), and one Zr(7) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Zr(1), one Zr(2), one Zr(7), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Nd(1), one Zr(2), one Zr(7), and one Zr(8) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the seventeenth O site, O(17) is bonded to one Zr(5), one Zr(6), one Zr(7), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Zr(5), one Zr(7), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the nineteenth O site, O(19) is bonded to one Nd(1), one Zr(1), one Zr(7), and one Zr(9) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(4)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, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the twentieth O site, O(20) is bonded to one Nd(1), one Zr(1), one Zr(2), and one Zr(9) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. is represented by the CIF file [CIF]
data_NdZr9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   7.461
_cell_length_c   8.225
_cell_angle_alpha   77.307
_cell_angle_beta   75.359
_cell_angle_gamma   71.831
_symmetry_Int_Tables_number   1
_cell_volume   363.308
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.398  0.349  0.700  1.0
  Zr  Zr1  1  0.192  0.551  0.103  1.0
  Zr  Zr2  1  0.203  0.045  0.099  1.0
  Zr  Zr3  1  0.596  0.147  0.299  1.0
  Zr  Zr4  1  0.604  0.650  0.299  1.0
  Zr  Zr5  1  0.003  0.758  0.495  1.0
  Zr  Zr6  1  0.998  0.255  0.496  1.0
  Zr  Zr7  1  0.397  0.851  0.706  1.0
  Zr  Zr8  1  0.805  0.949  0.899  1.0
  Zr  Zr9  1  0.798  0.452  0.898  1.0
  O  O10  1  0.586  0.472  0.140  1.0
  O  O11  1  0.879  0.673  0.036  1.0
  O  O12  1  0.003  0.062  0.340  1.0
  O  O13  1  0.283  0.277  0.240  1.0
  O  O14  1  0.810  0.127  0.066  1.0
  O  O15  1  0.511  0.929  0.174  1.0
  O  O16  1  0.385  0.679  0.535  1.0
  O  O17  1  0.690  0.874  0.440  1.0
  O  O18  1  0.220  0.727  0.255  1.0
  O  O19  1  0.921  0.531  0.350  1.0
  O  O20  1  0.789  0.263  0.744  1.0
  O  O21  1  0.054  0.480  0.631  1.0
  O  O22  1  0.647  0.323  0.442  1.0
  O  O23  1  0.315  0.123  0.558  1.0
  O  O24  1  0.165  0.882  0.938  1.0
  O  O25  1  0.483  0.043  0.855  1.0
  O  O26  1  0.017  0.925  0.663  1.0
  O  O27  1  0.720  0.728  0.757  1.0
  O  O28  1  0.421  0.548  0.874  1.0
  O  O29  1  0.109  0.327  0.967  1.0
[/CIF]
.
The material structure described by NdZr9O20 crystallizes in the triclinic P1 space group. Nd(1) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(13), one O(14), one O(16), one O(19), one O(20), and one O(7) atom. There are nine inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(10), one O(15), one O(19), one O(2), one O(20), one O(4), and one O(9) atom. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to one O(15), one O(16), one O(20), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(14), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the fourth Zr site, Zr(4) is bonded in a distorted body-centered cubic geometry to one O(1), one O(10), one O(13), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the fifth Zr site, Zr(5) is bonded in a distorted body-centered cubic geometry to one O(10), one O(12), one O(17), one O(18), one O(3), one O(7), one O(8), and one O(9) atom. In the sixth Zr site, Zr(6) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(17), one O(3), and one O(4) atom. In the seventh Zr site, Zr(7) is bonded in a distorted body-centered cubic geometry to one O(14), one O(15), one O(16), one O(17), one O(18), one O(19), one O(7), and one O(8) atom. In the eighth Zr site, Zr(8) is bonded in a distorted body-centered cubic geometry to one O(11), one O(15), one O(16), one O(17), one O(18), one O(2), one O(5), and one O(6) atom. In the ninth Zr site, Zr(9) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(18), one O(19), one O(2), one O(20), and one O(5) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 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, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the second O site, O(2) is bonded to one Zr(1), one Zr(4), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Zr(5), and one Zr(6) atom. In the fourth O site, O(4) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(6) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(10)Zr4 tetrahedra. In the fifth O site, O(5) is bonded to one Zr(2), one Zr(3), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Zr(2), one Zr(3), one Zr(4), and one Zr(8) atom. In the seventh O site, O(7) is bonded to one Nd(1), one Zr(4), one Zr(5), and one Zr(7) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)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(3), one Zr(4), one Zr(5), and one Zr(7) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the ninth O site, O(9) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Zr(5) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(15)Zr4 tetrahedra. In the tenth O site, O(10) is bonded to one Zr(1), one Zr(4), one Zr(5), and one Zr(6) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra,  an edgeedge with one O(8)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the eleventh O site, O(11) is bonded to one Nd(1), one Zr(6), one Zr(8), and one Zr(9) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. In the twelfth O site, O(12) is bonded to one Nd(1), one Zr(5), one Zr(6), and one Zr(9) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)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, corners with two equivalent O(13)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(10)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Nd(1), one Zr(3), one Zr(4), and one Zr(6) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra, and  an edgeedge with one O(10)Zr4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Nd(1), one Zr(3), one Zr(6), and one Zr(7) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(13)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the fifteenth O site, O(15) is bonded to one Zr(1), one Zr(2), one Zr(7), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(11)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(16)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra, corners with two equivalent O(20)NdZr3 tetrahedra, corners with two equivalent O(18)Zr4 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(5)Zr4 tetrahedra, and  an edgeedge with one O(9)Zr4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Nd(1), one Zr(2), one Zr(7), and one Zr(8) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(12)NdZr3 tetrahedra,  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(15)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(8)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(19)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(17)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the seventeenth O site, O(17) is bonded to one Zr(5), one Zr(6), one Zr(7), and one Zr(8) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra,  a cornercorner with one O(2)Zr4 tetrahedra,  a cornercorner with one O(4)Zr4 tetrahedra,  a cornercorner with one O(5)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(10)Zr4 tetrahedra, corners with two equivalent O(8)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(14)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Zr(5), one Zr(7), one Zr(8), and one Zr(9) atom to form distorted OZr4 tetrahedra that share  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(1)Zr4 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(9)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(7)NdZr3 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(5)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(17)Zr4 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra, and  an edgeedge with one O(8)Zr4 tetrahedra. In the nineteenth O site, O(19) is bonded to one Nd(1), one Zr(1), one Zr(7), and one Zr(9) atom to form ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(20)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(17)Zr4 tetrahedra,  a cornercorner with one O(4)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, corners with two equivalent O(12)NdZr3 tetrahedra, corners with two equivalent O(14)NdZr3 tetrahedra, corners with two equivalent O(16)NdZr3 tetrahedra, corners with two equivalent O(2)Zr4 tetrahedra,  an edgeedge with one O(11)NdZr3 tetrahedra,  an edgeedge with one O(20)NdZr3 tetrahedra,  an edgeedge with one O(7)NdZr3 tetrahedra,  an edgeedge with one O(1)Zr4 tetrahedra,  an edgeedge with one O(15)Zr4 tetrahedra, and  an edgeedge with one O(18)Zr4 tetrahedra. In the twentieth O site, O(20) is bonded to one Nd(1), one Zr(1), one Zr(2), and one Zr(9) atom to form distorted ONdZr3 tetrahedra that share  a cornercorner with one O(13)NdZr3 tetrahedra,  a cornercorner with one O(14)NdZr3 tetrahedra,  a cornercorner with one O(19)NdZr3 tetrahedra,  a cornercorner with one O(7)NdZr3 tetrahedra,  a cornercorner with one O(10)Zr4 tetrahedra,  a cornercorner with one O(18)Zr4 tetrahedra, corners with two equivalent O(11)NdZr3 tetrahedra, corners with two equivalent O(1)Zr4 tetrahedra, corners with two equivalent O(15)Zr4 tetrahedra, corners with two equivalent O(9)Zr4 tetrahedra,  an edgeedge with one O(12)NdZr3 tetrahedra,  an edgeedge with one O(16)NdZr3 tetrahedra,  an edgeedge with one O(19)NdZr3 tetrahedra,  an edgeedge with one O(2)Zr4 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and  an edgeedge with one O(5)Zr4 tetrahedra. is represented by the CIF file [CIF]
data_NdZr9O20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.517
_cell_length_b   7.461
_cell_length_c   8.225
_cell_angle_alpha   77.307
_cell_angle_beta   75.359
_cell_angle_gamma   71.831
_symmetry_Int_Tables_number   1
_cell_volume   363.308
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.398  0.349  0.700  1.0
  Zr  Zr1  1  0.192  0.551  0.103  1.0
  Zr  Zr2  1  0.203  0.045  0.099  1.0
  Zr  Zr3  1  0.596  0.147  0.299  1.0
  Zr  Zr4  1  0.604  0.650  0.299  1.0
  Zr  Zr5  1  0.003  0.758  0.495  1.0
  Zr  Zr6  1  0.998  0.255  0.496  1.0
  Zr  Zr7  1  0.397  0.851  0.706  1.0
  Zr  Zr8  1  0.805  0.949  0.899  1.0
  Zr  Zr9  1  0.798  0.452  0.898  1.0
  O  O10  1  0.586  0.472  0.140  1.0
  O  O11  1  0.879  0.673  0.036  1.0
  O  O12  1  0.003  0.062  0.340  1.0
  O  O13  1  0.283  0.277  0.240  1.0
  O  O14  1  0.810  0.127  0.066  1.0
  O  O15  1  0.511  0.929  0.174  1.0
  O  O16  1  0.385  0.679  0.535  1.0
  O  O17  1  0.690  0.874  0.440  1.0
  O  O18  1  0.220  0.727  0.255  1.0
  O  O19  1  0.921  0.531  0.350  1.0
  O  O20  1  0.789  0.263  0.744  1.0
  O  O21  1  0.054  0.480  0.631  1.0
  O  O22  1  0.647  0.323  0.442  1.0
  O  O23  1  0.315  0.123  0.558  1.0
  O  O24  1  0.165  0.882  0.938  1.0
  O  O25  1  0.483  0.043  0.855  1.0
  O  O26  1  0.017  0.925  0.663  1.0
  O  O27  1  0.720  0.728  0.757  1.0
  O  O28  1  0.421  0.548  0.874  1.0
  O  O29  1  0.109  0.327  0.967  1.0
[/CIF]
.