V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent V sites. In the first V site, V(1) 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 two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second V site, V(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third V site, V(3) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the fifth V site, V(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms.
V2O3F is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent V sites. In the first V site, V(1) 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 two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both V(1)-O(1) bond lengths are 1.97 Å. Both V(1)-O(2) bond lengths are 1.90 Å. Both V(1)-F(1) bond lengths are 2.07 Å. In the second V site, V(2) is bonded to one O(1), four equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The V(2)-O(1) bond length is 1.83 Å. All V(2)-O(3) bond lengths are 1.97 Å. The V(2)-F(1) bond length is 2.19 Å. In the third V site, V(3) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form VO4F2 octahedra that share corners with four equivalent V(1)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. All V(3)-O(2) bond lengths are 2.03 Å. Both V(3)-F(2) bond lengths are 1.98 Å. In the fourth V site, V(4) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Both V(4)-O(4) bond lengths are 1.97 Å. All V(4)-O(2) bond lengths are 1.99 Å. In the fifth V site, V(5) is bonded to two equivalent O(3); two O(4,4); and two F(2,2) atoms to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Both V(5)-O(3) bond lengths are 1.99 Å. Both V(5)-O(4,4) bond lengths are 2.05 Å. Both V(5)-F(2,2) bond lengths are 2.04 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(2) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(5) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. The O(4)-V(4) bond length is 1.97 Å. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(4) and two equivalent V(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms. The F(2)-V(3) bond length is 1.98 Å. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(5) atoms.