V2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(2), two equivalent O(6), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O5F octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(1) 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(2), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom.
V2O3F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(5), two equivalent O(2), two equivalent O(6), and one F(2) atom to form distorted VO5F octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The V(1)-O(5) bond length is 1.80 Å. Both V(1)-O(2) bond lengths are 1.98 Å. Both V(1)-O(6) bond lengths are 1.97 Å. The V(1)-F(2) bond length is 2.33 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Both V(2)-O(1) bond lengths are 1.98 Å. Both V(2)-O(3) bond lengths are 1.88 Å. Both V(2)-F(1) bond lengths are 1.99 Å. In the third V site, V(3) is bonded to one O(2), one O(3), one O(4), one O(5), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O5F octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The V(3)-O(2) bond length is 1.96 Å. The V(3)-O(3) bond length is 2.04 Å. The V(3)-O(4) bond length is 1.98 Å. The V(3)-O(5) bond length is 2.04 Å. The V(3)-F(1) bond length is 2.06 Å. The V(3)-F(2) bond length is 2.04 Å. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(5), one O(6), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(1)O5F octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The V(4)-O(1) bond length is 1.99 Å. The V(4)-O(4) bond length is 2.00 Å. The V(4)-O(5) bond length is 2.04 Å. The V(4)-O(6) bond length is 1.98 Å. The V(4)-F(1) bond length is 2.06 Å. The V(4)-F(2) bond length is 2.04 Å. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. Both V(5)-O(1) bond lengths are 1.96 Å. Both V(5)-O(3) bond lengths are 2.04 Å. Both V(5)-O(4) bond lengths are 1.99 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(1) 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(2), one V(3), and one V(4) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(4) atom.