V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(6)O5F octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(9), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)O5F octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(4)O5F octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the fourth V site, V(4) is bonded to one O(9), two equivalent O(5), two equivalent O(7), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(6)O5F octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(2)O4F2 octahedra, and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the fifth V site, V(5) is bonded to one O(10), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O5F octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the sixth V site, V(6) is bonded to one O(7), two equivalent O(10), two equivalent O(4), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(1) atoms.
V3O5F is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(6)O5F octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The V(1)-O(2) bond length is 1.88 Å. The V(1)-O(3) bond length is 1.93 Å. Both V(1)-O(1) bond lengths are 1.88 Å. Both V(1)-F(2) bond lengths are 2.05 Å. In the second V site, V(2) is bonded to one O(1), one O(6), two equivalent O(9), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)O5F octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The V(2)-O(1) bond length is 1.98 Å. The V(2)-O(6) bond length is 1.83 Å. Both V(2)-O(9) bond lengths are 1.87 Å. Both V(2)-F(1) bond lengths are 2.02 Å. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(4)O5F octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O4F2 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. The V(3)-O(5) bond length is 1.96 Å. The V(3)-O(8) bond length is 1.90 Å. Both V(3)-O(2) bond lengths are 1.97 Å. Both V(3)-O(3) bond lengths are 1.96 Å. In the fourth V site, V(4) is bonded to one O(9), two equivalent O(5), two equivalent O(7), and one F(1) atom to form VO5F octahedra that share corners with two equivalent V(6)O5F octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(2)O4F2 octahedra, and edges with two equivalent V(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The V(4)-O(9) bond length is 1.85 Å. Both V(4)-O(5) bond lengths are 1.90 Å. Both V(4)-O(7) bond lengths are 1.98 Å. The V(4)-F(1) bond length is 2.02 Å. In the fifth V site, V(5) is bonded to one O(10), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(6)O5F octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. The V(5)-O(10) bond length is 1.94 Å. The V(5)-O(4) bond length is 1.97 Å. Both V(5)-O(6) bond lengths are 1.99 Å. Both V(5)-O(8) bond lengths are 1.92 Å. In the sixth V site, V(6) is bonded to one O(7), two equivalent O(10), two equivalent O(4), and one F(2) atom to form VO5F octahedra that share corners with two equivalent V(1)O4F2 octahedra, corners with two equivalent V(4)O5F octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The V(6)-O(7) bond length is 1.81 Å. Both V(6)-O(10) bond lengths are 1.94 Å. Both V(6)-O(4) bond lengths are 1.94 Å. The V(6)-F(2) bond length is 2.16 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(6) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(1) atoms.