FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), one F(15), and two equivalent F(16) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the second Fe site, Fe(2) is bonded to one O(4), one F(14), two equivalent F(1), and two equivalent F(17) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(16)O3F3 octahedra, corners with two equivalent Fe(17)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the third Fe site, Fe(3) is bonded to one O(18), one O(5), two equivalent O(1), and two equivalent F(18) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(17)O3F3 octahedra, corners with two equivalent Fe(18)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth Fe site, Fe(4) is bonded to one O(6), two equivalent O(3), one F(1), and two equivalent F(2) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(5), one F(5), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the seventh Fe site, Fe(7) is bonded to two equivalent O(6), two equivalent O(9), one F(4), and one F(7) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(11)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the eighth Fe site, Fe(8) is bonded to one O(10), two equivalent O(7), one F(2), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the ninth Fe site, Fe(9) is bonded to one O(11), two equivalent O(8), one F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the tenth Fe site, Fe(10) is bonded to one O(8), two equivalent O(10), one F(11), and two equivalent F(8) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the eleventh Fe site, Fe(11) is bonded to one O(7), two equivalent O(12), one F(10), and two equivalent F(7) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the twelfth Fe site, Fe(12) is bonded to one O(9), two equivalent O(11), one F(12), and two equivalent F(9) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(12)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the thirteenth Fe site, Fe(13) is bonded to one O(16), two equivalent O(15), one F(9), and two equivalent F(10) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourteenth Fe site, Fe(14) is bonded to one O(12), two equivalent O(13), one F(13), and two equivalent F(11) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fifteenth Fe site, Fe(15) is bonded to one O(17), two equivalent O(14), one F(8), and two equivalent F(12) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the sixteenth Fe site, Fe(16) is bonded to one O(13), two equivalent O(16), one F(16), and two equivalent F(14) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(16)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the seventeenth Fe site, Fe(17) is bonded to one O(14), two equivalent O(18), one F(17), and two equivalent F(13) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(17)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the eighteenth Fe site, Fe(18) is bonded to one O(15), two equivalent O(17), one F(18), and two equivalent F(15) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, and edges with two equivalent Fe(18)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(11) and two equivalent Fe(8) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(10) and two equivalent Fe(9) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(12) and two equivalent Fe(7) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(10) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(9) and two equivalent Fe(12) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(14) and two equivalent Fe(11) atoms. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(16) and two equivalent Fe(14) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(17) and two equivalent Fe(15) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(18) and two equivalent Fe(13) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(13) and two equivalent Fe(16) atoms. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(15) and two equivalent Fe(18) atoms. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(17) atoms. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(8) and two equivalent Fe(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(9) and two equivalent Fe(5) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(7) and two equivalent Fe(6) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(9) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(5) and two equivalent Fe(8) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(7) and two equivalent Fe(11) atoms. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(15) and two equivalent Fe(10) atoms. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Fe(13) and two equivalent Fe(12) atoms. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Fe(11) and two equivalent Fe(13) atoms. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Fe(10) and two equivalent Fe(14) atoms. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Fe(12) and two equivalent Fe(15) atoms. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(14) and two equivalent Fe(17) atoms. In the fourteenth F site, F(14) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(16) atoms. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(18) atoms. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Fe(16) and two equivalent Fe(1) atoms. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Fe(17) and two equivalent Fe(2) atoms. In the eighteenth F site, F(18) is bonded in a distorted T-shaped geometry to one Fe(18) and two equivalent Fe(3) atoms.
FeOF is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), one F(15), and two equivalent F(16) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. The Fe(1)-O(3) bond length is 1.94 Å. Both Fe(1)-O(2) bond lengths are 1.93 Å. The Fe(1)-F(15) bond length is 2.14 Å. Both Fe(1)-F(16) bond lengths are 2.17 Å. In the second Fe site, Fe(2) is bonded to one O(4), one F(14), two equivalent F(1), and two equivalent F(17) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(16)O3F3 octahedra, corners with two equivalent Fe(17)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, and edges with two equivalent Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The Fe(2)-O(4) bond length is 1.87 Å. The Fe(2)-F(14) bond length is 2.04 Å. Both Fe(2)-F(1) bond lengths are 2.01 Å. Both Fe(2)-F(17) bond lengths are 2.04 Å. In the third Fe site, Fe(3) is bonded to one O(18), one O(5), two equivalent O(1), and two equivalent F(18) atoms to form FeO4F2 octahedra that share corners with two equivalent Fe(17)O3F3 octahedra, corners with two equivalent Fe(18)O3F3 octahedra, corners with two equivalent Fe(5)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(3)-O(18) bond length is 2.00 Å. The Fe(3)-O(5) bond length is 1.97 Å. Both Fe(3)-O(1) bond lengths are 1.97 Å. Both Fe(3)-F(18) bond lengths are 2.15 Å. In the fourth Fe site, Fe(4) is bonded to one O(6), two equivalent O(3), one F(1), and two equivalent F(2) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. The Fe(4)-O(6) bond length is 1.87 Å. Both Fe(4)-O(3) bond lengths are 1.95 Å. The Fe(4)-F(1) bond length is 2.30 Å. Both Fe(4)-F(2) bond lengths are 2.17 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), two equivalent O(4), one F(6), and two equivalent F(3) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Fe(5)-O(1) bond length is 1.90 Å. Both Fe(5)-O(4) bond lengths are 2.00 Å. The Fe(5)-F(6) bond length is 2.11 Å. Both Fe(5)-F(3) bond lengths are 2.10 Å. In the sixth Fe site, Fe(6) is bonded to one O(2), two equivalent O(5), one F(5), and two equivalent F(4) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(6)-O(2) bond length is 1.96 Å. Both Fe(6)-O(5) bond lengths are 1.93 Å. The Fe(6)-F(5) bond length is 2.15 Å. Both Fe(6)-F(4) bond lengths are 2.14 Å. In the seventh Fe site, Fe(7) is bonded to two equivalent O(6), two equivalent O(9), one F(4), and one F(7) atom to form FeO4F2 octahedra that share corners with two equivalent Fe(11)O3F3 octahedra, corners with two equivalent Fe(12)O3F3 octahedra, corners with two equivalent Fe(4)O3F3 octahedra, corners with two equivalent Fe(6)O3F3 octahedra, and edges with two equivalent Fe(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Fe(7)-O(6) bond lengths are 2.02 Å. Both Fe(7)-O(9) bond lengths are 2.00 Å. The Fe(7)-F(4) bond length is 2.10 Å. The Fe(7)-F(7) bond length is 2.10 Å. In the eighth Fe site, Fe(8) is bonded to one O(10), two equivalent O(7), one F(2), and two equivalent F(6) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(8)-O(10) bond length is 1.94 Å. Both Fe(8)-O(7) bond lengths are 1.94 Å. The Fe(8)-F(2) bond length is 2.12 Å. Both Fe(8)-F(6) bond lengths are 2.17 Å. In the ninth Fe site, Fe(9) is bonded to one O(11), two equivalent O(8), one F(3), and two equivalent F(5) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Fe(9)-O(11) bond length is 1.92 Å. Both Fe(9)-O(8) bond lengths are 1.94 Å. The Fe(9)-F(3) bond length is 2.17 Å. Both Fe(9)-F(5) bond lengths are 2.14 Å. In the tenth Fe site, Fe(10) is bonded to one O(8), two equivalent O(10), one F(11), and two equivalent F(8) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Fe(10)-O(8) bond length is 1.94 Å. Both Fe(10)-O(10) bond lengths are 1.94 Å. The Fe(10)-F(11) bond length is 2.15 Å. Both Fe(10)-F(8) bond lengths are 2.14 Å. In the eleventh Fe site, Fe(11) is bonded to one O(7), two equivalent O(12), one F(10), and two equivalent F(7) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(8)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(11)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Fe(11)-O(7) bond length is 1.96 Å. Both Fe(11)-O(12) bond lengths are 1.95 Å. The Fe(11)-F(10) bond length is 2.14 Å. Both Fe(11)-F(7) bond lengths are 2.10 Å. In the twelfth Fe site, Fe(12) is bonded to one O(9), two equivalent O(11), one F(12), and two equivalent F(9) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(9)O3F3 octahedra, corners with two equivalent Fe(7)O4F2 octahedra, and edges with two equivalent Fe(12)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Fe(12)-O(9) bond length is 1.90 Å. Both Fe(12)-O(11) bond lengths are 1.94 Å. The Fe(12)-F(12) bond length is 2.18 Å. Both Fe(12)-F(9) bond lengths are 2.15 Å. In the thirteenth Fe site, Fe(13) is bonded to one O(16), two equivalent O(15), one F(9), and two equivalent F(10) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(13)-O(16) bond length is 1.96 Å. Both Fe(13)-O(15) bond lengths are 1.94 Å. The Fe(13)-F(9) bond length is 2.08 Å. Both Fe(13)-F(10) bond lengths are 2.15 Å. In the fourteenth Fe site, Fe(14) is bonded to one O(12), two equivalent O(13), one F(13), and two equivalent F(11) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Fe(14)-O(12) bond length is 1.94 Å. Both Fe(14)-O(13) bond lengths are 1.95 Å. The Fe(14)-F(13) bond length is 2.12 Å. Both Fe(14)-F(11) bond lengths are 2.15 Å. In the fifteenth Fe site, Fe(15) is bonded to one O(17), two equivalent O(14), one F(8), and two equivalent F(12) atoms to form a mixture of edge and corner-sharing FeO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(15)-O(17) bond length is 1.94 Å. Both Fe(15)-O(14) bond lengths are 1.95 Å. The Fe(15)-F(8) bond length is 2.11 Å. Both Fe(15)-F(12) bond lengths are 2.12 Å. In the sixteenth Fe site, Fe(16) is bonded to one O(13), two equivalent O(16), one F(16), and two equivalent F(14) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(16)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Fe(16)-O(13) bond length is 1.95 Å. Both Fe(16)-O(16) bond lengths are 1.93 Å. The Fe(16)-F(16) bond length is 2.10 Å. Both Fe(16)-F(14) bond lengths are 2.21 Å. In the seventeenth Fe site, Fe(17) is bonded to one O(14), two equivalent O(18), one F(17), and two equivalent F(13) atoms to form distorted FeO3F3 octahedra that share corners with two equivalent Fe(14)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, corners with two equivalent Fe(2)OF5 octahedra, and edges with two equivalent Fe(17)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Fe(17)-O(14) bond length is 1.91 Å. Both Fe(17)-O(18) bond lengths are 1.94 Å. The Fe(17)-F(17) bond length is 2.25 Å. Both Fe(17)-F(13) bond lengths are 2.15 Å. In the eighteenth Fe site, Fe(18) is bonded to one O(15), two equivalent O(17), one F(18), and two equivalent F(15) atoms to form FeO3F3 octahedra that share corners with two equivalent Fe(1)O3F3 octahedra, corners with two equivalent Fe(13)O3F3 octahedra, corners with two equivalent Fe(15)O3F3 octahedra, corners with two equivalent Fe(3)O4F2 octahedra, and edges with two equivalent Fe(18)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Fe(18)-O(15) bond length is 1.95 Å. Both Fe(18)-O(17) bond lengths are 1.95 Å. The Fe(18)-F(18) bond length is 2.11 Å. Both Fe(18)-F(15) bond lengths are 2.14 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(6) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Fe(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(7) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(11) and two equivalent Fe(8) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Fe(10) and two equivalent Fe(9) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(12) and two equivalent Fe(7) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(10) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(9) and two equivalent Fe(12) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(14) and two equivalent Fe(11) atoms. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(16) and two equivalent Fe(14) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(17) and two equivalent Fe(15) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Fe(18) and two equivalent Fe(13) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(13) and two equivalent Fe(16) atoms. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Fe(15) and two equivalent Fe(18) atoms. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Fe(17) atoms. There are eighteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Fe(4) and two equivalent Fe(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Fe(8) and two equivalent Fe(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(9) and two equivalent Fe(5) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Fe(7) and two equivalent Fe(6) atoms. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(6) and two equivalent Fe(9) atoms. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Fe(5) and two equivalent Fe(8) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Fe(7) and two equivalent Fe(11) atoms. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Fe(15) and two equivalent Fe(10) atoms. In the ninth F site, F(9) is bonded in a distorted T-shaped geometry to one Fe(13) and two equivalent Fe(12) atoms. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Fe(11) and two equivalent Fe(13) atoms. In the eleventh F site, F(11) is bonded in a distorted T-shaped geometry to one Fe(10) and two equivalent Fe(14) atoms. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Fe(12) and two equivalent Fe(15) atoms. In the thirteenth F site, F(13) is bonded in a distorted T-shaped geometry to one Fe(14) and two equivalent Fe(17) atoms. In the fourteenth F site, F(14) is bonded in a distorted T-shaped geometry to one Fe(2) and two equivalent Fe(16) atoms. In the fifteenth F site, F(15) is bonded in a distorted T-shaped geometry to one Fe(1) and two equivalent Fe(18) atoms. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Fe(16) and two equivalent Fe(1) atoms. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Fe(17) and two equivalent Fe(2) atoms. In the eighteenth F site, F(18) is bonded in a distorted T-shaped geometry to one Fe(18) and two equivalent Fe(3) atoms.