VOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with eight equivalent V(3)O3F3 octahedra and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(3)O3F3 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), one F(1), and two equivalent F(2) atoms to form VO3F3 octahedra that share corners with four equivalent V(1)O2F4 octahedra, corners with four equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second F site, F(2) 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_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with eight equivalent V(3)O3F3 octahedra and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both V(1)-O(1) bond lengths are 1.95 Å. Both V(1)-F(1) bond lengths are 2.08 Å. Both V(1)-F(2) bond lengths are 1.98 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(3)O3F3 octahedra and edges with two equivalent V(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. Both V(2)-O(1) bond lengths are 2.00 Å. Both V(2)-O(2) bond lengths are 2.08 Å. Both V(2)-F(1) bond lengths are 2.11 Å. In the third V site, V(3) is bonded to one O(1), two equivalent O(2), one F(1), and two equivalent F(2) atoms to form VO3F3 octahedra that share corners with four equivalent V(1)O2F4 octahedra, corners with four equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The V(3)-O(1) bond length is 1.94 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) V(3)-O(2) bond length. The V(3)-F(1) bond length is 2.16 Å. Both V(3)-F(2) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(3) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(3) atoms.