VOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(3), and two equivalent F(1) atoms to form VO3F3 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(2), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third V site, V(3) is bonded to one O(4), two equivalent O(1), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(3), one F(4), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom.
VOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(3), and two equivalent F(1) atoms to form VO3F3 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The V(1)-O(1) bond length is 2.00 Å. The V(1)-O(3) bond length is 1.93 Å. The V(1)-O(4) bond length is 1.98 Å. The V(1)-F(3) bond length is 2.09 Å. There is one shorter (2.09 Å) and one longer (2.16 Å) V(1)-F(1) bond length. In the second V site, V(2) is bonded to one O(3), one O(4), two equivalent O(2), one F(2), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The V(2)-O(3) bond length is 2.02 Å. The V(2)-O(4) bond length is 2.06 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) V(2)-O(2) bond length. The V(2)-F(2) bond length is 2.09 Å. The V(2)-F(4) bond length is 2.09 Å. In the third V site, V(3) is bonded to one O(4), two equivalent O(1), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The V(3)-O(4) bond length is 1.98 Å. There is one shorter (1.92 Å) and one longer (2.01 Å) V(3)-O(1) bond length. The V(3)-F(1) bond length is 2.09 Å. The V(3)-F(3) bond length is 2.09 Å. The V(3)-F(4) bond length is 2.18 Å. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(3), one F(4), and two equivalent F(2) atoms to form VO2F4 octahedra that share corners with two equivalent V(4)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(2)O4F2 octahedra, and edges with two equivalent V(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The V(4)-O(2) bond length is 1.95 Å. The V(4)-O(3) bond length is 1.98 Å. The V(4)-F(3) bond length is 1.98 Å. The V(4)-F(4) bond length is 2.07 Å. There is one shorter (1.99 Å) and one longer (2.08 Å) V(4)-F(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom.