VOF is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the third V site, V(3) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(3), 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(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms.
VOF is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The V(1)-O(5) bond length is 1.94 Å. Both V(1)-O(4) bond lengths are 1.95 Å. The V(1)-F(1) bond length is 2.15 Å. Both V(1)-F(2) bond lengths are 2.15 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The V(2)-O(2) bond length is 1.93 Å. The V(2)-O(3) bond length is 2.01 Å. The V(2)-O(4) bond length is 2.04 Å. The V(2)-F(2) bond length is 2.07 Å. The V(2)-F(3) bond length is 2.07 Å. The V(2)-F(4) bond length is 2.13 Å. In the third V site, V(3) is bonded to one O(1), two equivalent O(3), one F(5), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The V(3)-O(1) bond length is 1.89 Å. Both V(3)-O(3) bond lengths are 1.98 Å. The V(3)-F(5) bond length is 2.15 Å. Both V(3)-F(3) bond lengths are 2.15 Å. In the fourth V site, V(4) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(5) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The V(4)-O(2) bond length is 1.96 Å. The V(4)-O(3) bond length is 1.97 Å. The V(4)-O(4) bond length is 2.00 Å. The V(4)-F(1) bond length is 2.12 Å. The V(4)-F(4) bond length is 2.10 Å. The V(4)-F(5) bond length is 2.16 Å. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The V(5)-O(1) bond length is 1.98 Å. The V(5)-O(2) bond length is 1.98 Å. The V(5)-O(5) bond length is 1.98 Å. The V(5)-F(2) bond length is 2.04 Å. The V(5)-F(3) bond length is 2.05 Å. The V(5)-F(4) bond length is 2.13 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(3), 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(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(4) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(4) atoms.