The material structure described by Mn2OF2 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), one F(1), one F(14), one F(4), and one F(6) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(8), one F(10), one F(14), and one F(5) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(6)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one F(11), one F(15), one F(4), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Mn site, Mn(4) is bonded to one O(7), one F(12), one F(2), one F(3), one F(6), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-58°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one O(6), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(4)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 57-67°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(5), one F(12), one F(13), one F(4), and one F(5) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-60°. In the seventh Mn site, Mn(7) is bonded to one O(4), one O(6), one F(10), one F(13), one F(4), and one F(9) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-57°. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(7), one O(8), one F(1), one F(14), and one F(2) atom. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(4), one O(8), one F(12), one F(15), one F(7), and one F(9) atom. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(6), one F(11), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-60°. In the eleventh Mn site, Mn(11) is bonded to one O(2), one F(12), one F(15), one F(16), one F(5), and one F(6) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-58°. In the twelfth Mn site, Mn(12) is bonded to one O(3), one O(5), one F(11), one F(3), one F(7), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 54-65°. In the thirteenth Mn site, Mn(13) is bonded to one O(3), one O(6), one F(1), one F(13), one F(16), and one F(7) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 58-60°. In the fourteenth Mn site, Mn(14) is bonded to one O(3), one O(8), one F(10), one F(15), one F(2), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fifteenth Mn site, Mn(15) is bonded to one O(7), one F(11), one F(14), one F(16), one F(7), and one F(9) atom to form distorted MnOF5 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra, and  an edgeedge with one Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the sixteenth Mn site, Mn(16) is bonded to one O(2), one O(7), one F(10), one F(13), one F(16), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 55-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mn(10), one Mn(3), one Mn(6), and one Mn(8) atom to form OMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(11)Mn4 tetrahedra, and  an edgeedge with one F(2)Mn4 trigonal pyramid. In the second O site, O(2) is bonded to one Mn(11), one Mn(16), one Mn(2), and one Mn(5) atom to form OMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(16)Mn4 trigonal pyramid, and  an edgeedge with one F(6)Mn4 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(1), one Mn(12), one Mn(13), and one Mn(14) atom to form OMn4 tetrahedra that share  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(5)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(8)Mn4 tetrahedra. In the fourth O site, O(4) is bonded to one Mn(3), one Mn(5), one Mn(7), and one Mn(9) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(12), one Mn(2), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid, and  an edgeedge with one O(3)Mn4 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(10), one Mn(13), one Mn(5), and one Mn(7) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(4)Mn4 tetrahedra,  an edgeedge with one F(13)Mn4 trigonal pyramid, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(15), one Mn(16), one Mn(4), and one Mn(8) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one F(16)Mn4 trigonal pyramid,  an edgeedge with one F(2)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mn(14), one Mn(2), one Mn(8), and one Mn(9) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid, and  an edgeedge with one F(2)Mn4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(13), one Mn(5), and one Mn(8) atom. In the second F site, F(2) is bonded to one Mn(10), one Mn(14), one Mn(4), and one Mn(8) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one O(8)Mn4 tetrahedra, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the third F site, F(3) is bonded to one Mn(10), one Mn(12), one Mn(4), and one Mn(5) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra,  an edgeedge with one F(11)Mn4 tetrahedra,  an edgeedge with one F(2)Mn4 trigonal pyramid, and  an edgeedge with one F(6)Mn4 trigonal pyramid. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(11), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded to one Mn(1), one Mn(11), one Mn(4), and one Mn(5) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one F(12)Mn4 trigonal pyramid, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the seventh F site, F(7) is bonded to one Mn(12), one Mn(13), one Mn(15), and one Mn(9) atom to form FMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one O(3)Mn4 tetrahedra,  an edgeedge with one F(11)Mn4 tetrahedra,  an edgeedge with one F(16)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the eighth F site, F(8) is bonded to one Mn(12), one Mn(14), one Mn(16), and one Mn(3) atom to form FMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(11)Mn4 tetrahedra. In the ninth F site, F(9) is bonded to one Mn(15), one Mn(4), one Mn(7), and one Mn(9) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(4)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(12)Mn4 trigonal pyramid. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Mn(14), one Mn(16), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded to one Mn(10), one Mn(12), one Mn(15), and one Mn(3) atom to form FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra,  an edgeedge with one F(8)Mn4 tetrahedra, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Mn(11), one Mn(4), one Mn(6), and one Mn(9) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(6)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the thirteenth F site, F(13) is bonded to one Mn(13), one Mn(16), one Mn(6), and one Mn(7) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra, and  an edgeedge with one F(16)Mn4 trigonal pyramid. In the fourteenth F site, F(14) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(15), one Mn(2), and one Mn(8) atom. In the fifteenth F site, F(15) is bonded in a rectangular see-saw-like geometry to one Mn(11), one Mn(14), one Mn(3), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded to one Mn(11), one Mn(13), one Mn(15), and one Mn(16) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(13)Mn4 trigonal pyramid. is represented by the CIF card [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.835
_cell_length_b   8.910
_cell_length_c   8.922
_cell_angle_alpha   109.552
_cell_angle_beta   109.414
_cell_angle_gamma   109.195
_symmetry_Int_Tables_number   1
_cell_volume   542.353
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.727  0.190  0.955  1.0
  Mn  Mn1  1  0.967  0.962  0.961  1.0
  Mn  Mn2  1  0.988  0.482  0.509  1.0
  Mn  Mn3  1  0.489  0.516  0.003  1.0
  Mn  Mn4  1  0.722  0.477  0.736  1.0
  Mn  Mn5  1  0.794  0.042  0.250  1.0
  Mn  Mn6  1  0.535  0.262  0.311  1.0
  Mn  Mn7  1  0.039  0.248  0.768  1.0
  Mn  Mn8  1  0.778  0.730  0.497  1.0
  Mn  Mn9  1  0.250  0.282  0.526  1.0
  Mn  Mn10  1  0.955  0.735  0.192  1.0
  Mn  Mn11  1  0.481  0.776  0.731  1.0
  Mn  Mn12  1  0.484  0.023  0.518  1.0
  Mn  Mn13  1  0.223  0.974  0.752  1.0
  Mn  Mn14  1  0.279  0.531  0.235  1.0
  Mn  Mn15  1  0.228  0.759  0.021  1.0
  O  O16  1  0.001  0.256  0.521  1.0
  O  O17  1  0.961  0.717  0.956  1.0
  O  O18  1  0.454  0.001  0.731  1.0
  O  O19  1  0.776  0.513  0.536  1.0
  O  O20  1  0.732  0.958  0.976  1.0
  O  O21  1  0.462  0.245  0.508  1.0
  O  O22  1  0.255  0.528  0.991  1.0
  O  O23  1  0.981  0.979  0.733  1.0
  F  F24  1  0.780  0.242  0.739  1.0
  F  F25  1  0.302  0.244  0.772  1.0
  F  F26  1  0.505  0.561  0.781  1.0
  F  F27  1  0.748  0.273  0.221  1.0
  F  F28  1  0.055  0.022  0.267  1.0
  F  F29  1  0.715  0.453  0.009  1.0
  F  F30  1  0.548  0.771  0.498  1.0
  F  F31  1  0.228  0.720  0.767  1.0
  F  F32  1  0.486  0.451  0.222  1.0
  F  F33  1  0.289  0.044  0.046  1.0
  F  F34  1  0.240  0.509  0.456  1.0
  F  F35  1  0.733  0.773  0.245  1.0
  F  F36  1  0.535  0.985  0.269  1.0
  F  F37  1  0.029  0.275  0.060  1.0
  F  F38  1  0.013  0.725  0.443  1.0
  F  F39  1  0.232  0.768  0.286  1.0
[/CIF]
.
The material structure described by Mn2OF2 is Spinel-like structured and crystallizes in the triclinic P1 space group. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), one F(1), one F(14), one F(4), and one F(6) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(8), one F(10), one F(14), and one F(5) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(6)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one F(11), one F(15), one F(4), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Mn site, Mn(4) is bonded to one O(7), one F(12), one F(2), one F(3), one F(6), and one F(9) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-58°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one O(6), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(4)OF5 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 57-67°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(5), one F(12), one F(13), one F(4), and one F(5) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O2F4 pentagonal pyramid, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 49-60°. In the seventh Mn site, Mn(7) is bonded to one O(4), one O(6), one F(10), one F(13), one F(4), and one F(9) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-57°. In the eighth Mn site, Mn(8) is bonded in a 6-coordinate geometry to one O(1), one O(7), one O(8), one F(1), one F(14), and one F(2) atom. In the ninth Mn site, Mn(9) is bonded in a 6-coordinate geometry to one O(4), one O(8), one F(12), one F(15), one F(7), and one F(9) atom. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(6), one F(11), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 51-60°. In the eleventh Mn site, Mn(11) is bonded to one O(2), one F(12), one F(15), one F(16), one F(5), and one F(6) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(15)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)OF5 octahedra, and  an edgeedge with one Mn(6)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-58°. In the twelfth Mn site, Mn(12) is bonded to one O(3), one O(5), one F(11), one F(3), one F(7), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(16)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 54-65°. In the thirteenth Mn site, Mn(13) is bonded to one O(3), one O(6), one F(1), one F(13), one F(16), and one F(7) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(14)O2F4 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(1)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 58-60°. In the fourteenth Mn site, Mn(14) is bonded to one O(3), one O(8), one F(10), one F(15), one F(2), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(13)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. In the fifteenth Mn site, Mn(15) is bonded to one O(7), one F(11), one F(14), one F(16), one F(7), and one F(9) atom to form distorted MnOF5 octahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(7)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(1)O2F4 pentagonal pyramid,  a cornercorner with one Mn(11)OF5 pentagonal pyramid,  an edgeedge with one Mn(12)O2F4 octahedra,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(16)O2F4 octahedra, and  an edgeedge with one Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the sixteenth Mn site, Mn(16) is bonded to one O(2), one O(7), one F(10), one F(13), one F(16), and one F(8) atom to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(12)O2F4 octahedra,  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)OF5 octahedra,  a cornercorner with one Mn(6)O2F4 pentagonal pyramid,  an edgeedge with one Mn(13)O2F4 octahedra,  an edgeedge with one Mn(14)O2F4 octahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(15)OF5 octahedra, and  an edgeedge with one Mn(11)OF5 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 55-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mn(10), one Mn(3), one Mn(6), and one Mn(8) atom to form OMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(11)Mn4 tetrahedra, and  an edgeedge with one F(2)Mn4 trigonal pyramid. In the second O site, O(2) is bonded to one Mn(11), one Mn(16), one Mn(2), and one Mn(5) atom to form OMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(16)Mn4 trigonal pyramid, and  an edgeedge with one F(6)Mn4 trigonal pyramid. In the third O site, O(3) is bonded to one Mn(1), one Mn(12), one Mn(13), and one Mn(14) atom to form OMn4 tetrahedra that share  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(5)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(8)Mn4 tetrahedra. In the fourth O site, O(4) is bonded to one Mn(3), one Mn(5), one Mn(7), and one Mn(9) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the fifth O site, O(5) is bonded to one Mn(1), one Mn(12), one Mn(2), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid, and  an edgeedge with one O(3)Mn4 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(10), one Mn(13), one Mn(5), and one Mn(7) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(4)Mn4 tetrahedra,  an edgeedge with one F(13)Mn4 trigonal pyramid, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mn(15), one Mn(16), one Mn(4), and one Mn(8) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one F(16)Mn4 trigonal pyramid,  an edgeedge with one F(2)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mn(14), one Mn(2), one Mn(8), and one Mn(9) atom to form OMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid, and  an edgeedge with one F(2)Mn4 trigonal pyramid. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(13), one Mn(5), and one Mn(8) atom. In the second F site, F(2) is bonded to one Mn(10), one Mn(14), one Mn(4), and one Mn(8) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one O(8)Mn4 tetrahedra, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the third F site, F(3) is bonded to one Mn(10), one Mn(12), one Mn(4), and one Mn(5) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra,  an edgeedge with one F(11)Mn4 tetrahedra,  an edgeedge with one F(2)Mn4 trigonal pyramid, and  an edgeedge with one F(6)Mn4 trigonal pyramid. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(11), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded to one Mn(1), one Mn(11), one Mn(4), and one Mn(5) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one F(12)Mn4 trigonal pyramid, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the seventh F site, F(7) is bonded to one Mn(12), one Mn(13), one Mn(15), and one Mn(9) atom to form FMn4 tetrahedra that share  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one O(3)Mn4 tetrahedra,  an edgeedge with one F(11)Mn4 tetrahedra,  an edgeedge with one F(16)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the eighth F site, F(8) is bonded to one Mn(12), one Mn(14), one Mn(16), and one Mn(3) atom to form FMn4 tetrahedra that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(11)Mn4 tetrahedra. In the ninth F site, F(9) is bonded to one Mn(15), one Mn(4), one Mn(7), and one Mn(9) atom to form distorted FMn4 trigonal pyramids that share  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  an edgeedge with one O(4)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(12)Mn4 trigonal pyramid. In the tenth F site, F(10) is bonded in a rectangular see-saw-like geometry to one Mn(14), one Mn(16), one Mn(2), and one Mn(7) atom. In the eleventh F site, F(11) is bonded to one Mn(10), one Mn(12), one Mn(15), and one Mn(3) atom to form FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra,  an edgeedge with one F(8)Mn4 tetrahedra, and  an edgeedge with one F(3)Mn4 trigonal pyramid. In the twelfth F site, F(12) is bonded to one Mn(11), one Mn(4), one Mn(6), and one Mn(9) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one O(8)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(13)Mn4 trigonal pyramid,  a cornercorner with one F(16)Mn4 trigonal pyramid,  a cornercorner with one F(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)Mn4 trigonal pyramid,  an edgeedge with one F(6)Mn4 trigonal pyramid, and  an edgeedge with one F(9)Mn4 trigonal pyramid. In the thirteenth F site, F(13) is bonded to one Mn(13), one Mn(16), one Mn(6), and one Mn(7) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(1)Mn4 tetrahedra,  a cornercorner with one O(2)Mn4 tetrahedra,  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(4)Mn4 tetrahedra,  a cornercorner with one O(5)Mn4 tetrahedra,  a cornercorner with one O(7)Mn4 tetrahedra,  a cornercorner with one F(7)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(6)Mn4 tetrahedra, and  an edgeedge with one F(16)Mn4 trigonal pyramid. In the fourteenth F site, F(14) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(15), one Mn(2), and one Mn(8) atom. In the fifteenth F site, F(15) is bonded in a rectangular see-saw-like geometry to one Mn(11), one Mn(14), one Mn(3), and one Mn(9) atom. In the sixteenth F site, F(16) is bonded to one Mn(11), one Mn(13), one Mn(15), and one Mn(16) atom to form FMn4 trigonal pyramids that share  a cornercorner with one O(3)Mn4 tetrahedra,  a cornercorner with one O(6)Mn4 tetrahedra,  a cornercorner with one F(11)Mn4 tetrahedra,  a cornercorner with one F(8)Mn4 tetrahedra,  a cornercorner with one F(12)Mn4 trigonal pyramid,  a cornercorner with one F(6)Mn4 trigonal pyramid,  a cornercorner with one F(9)Mn4 trigonal pyramid,  an edgeedge with one O(2)Mn4 tetrahedra,  an edgeedge with one O(7)Mn4 tetrahedra,  an edgeedge with one F(7)Mn4 tetrahedra, and  an edgeedge with one F(13)Mn4 trigonal pyramid. is represented by the CIF card [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.835
_cell_length_b   8.910
_cell_length_c   8.922
_cell_angle_alpha   109.552
_cell_angle_beta   109.414
_cell_angle_gamma   109.195
_symmetry_Int_Tables_number   1
_cell_volume   542.353
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.727  0.190  0.955  1.0
  Mn  Mn1  1  0.967  0.962  0.961  1.0
  Mn  Mn2  1  0.988  0.482  0.509  1.0
  Mn  Mn3  1  0.489  0.516  0.003  1.0
  Mn  Mn4  1  0.722  0.477  0.736  1.0
  Mn  Mn5  1  0.794  0.042  0.250  1.0
  Mn  Mn6  1  0.535  0.262  0.311  1.0
  Mn  Mn7  1  0.039  0.248  0.768  1.0
  Mn  Mn8  1  0.778  0.730  0.497  1.0
  Mn  Mn9  1  0.250  0.282  0.526  1.0
  Mn  Mn10  1  0.955  0.735  0.192  1.0
  Mn  Mn11  1  0.481  0.776  0.731  1.0
  Mn  Mn12  1  0.484  0.023  0.518  1.0
  Mn  Mn13  1  0.223  0.974  0.752  1.0
  Mn  Mn14  1  0.279  0.531  0.235  1.0
  Mn  Mn15  1  0.228  0.759  0.021  1.0
  O  O16  1  0.001  0.256  0.521  1.0
  O  O17  1  0.961  0.717  0.956  1.0
  O  O18  1  0.454  0.001  0.731  1.0
  O  O19  1  0.776  0.513  0.536  1.0
  O  O20  1  0.732  0.958  0.976  1.0
  O  O21  1  0.462  0.245  0.508  1.0
  O  O22  1  0.255  0.528  0.991  1.0
  O  O23  1  0.981  0.979  0.733  1.0
  F  F24  1  0.780  0.242  0.739  1.0
  F  F25  1  0.302  0.244  0.772  1.0
  F  F26  1  0.505  0.561  0.781  1.0
  F  F27  1  0.748  0.273  0.221  1.0
  F  F28  1  0.055  0.022  0.267  1.0
  F  F29  1  0.715  0.453  0.009  1.0
  F  F30  1  0.548  0.771  0.498  1.0
  F  F31  1  0.228  0.720  0.767  1.0
  F  F32  1  0.486  0.451  0.222  1.0
  F  F33  1  0.289  0.044  0.046  1.0
  F  F34  1  0.240  0.509  0.456  1.0
  F  F35  1  0.733  0.773  0.245  1.0
  F  F36  1  0.535  0.985  0.269  1.0
  F  F37  1  0.029  0.275  0.060  1.0
  F  F38  1  0.013  0.725  0.443  1.0
  F  F39  1  0.232  0.768  0.286  1.0
[/CIF]
.