V3O5F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the third V site, V(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(2)O5F octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. 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(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms.
V3O5F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The V(1)-O(2) bond length is 1.97 Å. The V(1)-O(5) bond length is 1.93 Å. Both V(1)-O(3) bond lengths are 1.96 Å. Both V(1)-O(4) bond lengths are 1.95 Å. In the second V site, V(2) is bonded to one O(3), two equivalent O(1), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share corners with four equivalent V(3)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-50°. The V(2)-O(3) bond length is 1.82 Å. Both V(2)-O(1) bond lengths are 1.96 Å. Both V(2)-O(5) bond lengths are 1.92 Å. The V(2)-F(1) bond length is 2.15 Å. In the third V site, V(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(2)O5F octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The V(3)-O(1) bond length is 1.88 Å. The V(3)-O(4) bond length is 1.88 Å. Both V(3)-O(2) bond lengths are 1.87 Å. Both V(3)-F(1) bond lengths are 2.07 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(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms. F(1) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(3) atoms.