VOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(1), one F(4), and two equivalent F(3) atoms to form VO3F3 octahedra that share corners with four equivalent V(3)O2F4 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with four equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form VO2F4 octahedra that share corners with eight equivalent V(1)O3F3 octahedra and edges with two equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with four equivalent V(2)O2F4 octahedra, corners with four equivalent V(1)O3F3 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the fifth V site, V(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with eight equivalent V(2)O2F4 octahedra and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms.
VOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(4), two equivalent O(1), one F(4), and two equivalent F(3) atoms to form VO3F3 octahedra that share corners with four equivalent V(3)O2F4 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The V(1)-O(4) bond length is 1.89 Å. Both V(1)-O(1) bond lengths are 1.98 Å. The V(1)-F(4) bond length is 2.17 Å. Both V(1)-F(3) bond lengths are 2.13 Å. In the second V site, V(2) is bonded to one O(2), one O(3), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with four equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The V(2)-O(2) bond length is 1.93 Å. The V(2)-O(3) bond length is 1.93 Å. Both V(2)-F(1) bond lengths are 2.07 Å. Both V(2)-F(2) bond lengths are 2.07 Å. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form VO2F4 octahedra that share corners with eight equivalent V(1)O3F3 octahedra and edges with two equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. Both V(3)-O(1) bond lengths are 1.94 Å. All V(3)-F(4) bond lengths are 2.07 Å. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), one F(1), and one F(3) atom to form VO4F2 octahedra that share corners with four equivalent V(2)O2F4 octahedra, corners with four equivalent V(1)O3F3 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. Both V(4)-O(2) bond lengths are 2.01 Å. Both V(4)-O(4) bond lengths are 2.02 Å. The V(4)-F(1) bond length is 2.14 Å. The V(4)-F(3) bond length is 2.10 Å. In the fifth V site, V(5) is bonded to four equivalent O(3) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with eight equivalent V(2)O2F4 octahedra and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. All V(5)-O(3) bond lengths are 2.01 Å. Both V(5)-F(2) bond lengths are 2.13 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(5) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms.