V3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(4)O6 octahedra, corners with five equivalent V(2)O5F octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(3)O4F2 octahedra, corners with five equivalent V(1)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with six equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with six equivalent V(1)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom.
V3O5F is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), two equivalent O(5), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(4)O6 octahedra, corners with five equivalent V(2)O5F octahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-53°. The V(1)-O(1) bond length is 1.94 Å. The V(1)-O(2) bond length is 1.91 Å. The V(1)-O(3) bond length is 1.94 Å. There is one shorter (1.83 Å) and one longer (1.94 Å) V(1)-O(5) bond length. The V(1)-F(1) bond length is 2.09 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and one F(1) atom to form VO5F octahedra that share corners with three equivalent V(3)O4F2 octahedra, corners with five equivalent V(1)O5F octahedra,  an edgeedge with one V(2)O5F octahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The V(2)-O(1) bond length is 1.83 Å. The V(2)-O(2) bond length is 1.91 Å. The V(2)-O(4) bond length is 1.90 Å. Both V(2)-O(3) bond lengths are 1.94 Å. The V(2)-F(1) bond length is 2.18 Å. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with six equivalent V(2)O5F octahedra, and edges with two equivalent V(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-50°. Both V(3)-O(1) bond lengths are 1.96 Å. Both V(3)-O(4) bond lengths are 1.89 Å. Both V(3)-F(1) bond lengths are 2.00 Å. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O4F2 octahedra, corners with six equivalent V(1)O5F octahedra, and edges with two equivalent V(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-50°. Both V(4)-O(2) bond lengths are 1.96 Å. Both V(4)-O(4) bond lengths are 1.97 Å. Both V(4)-O(5) bond lengths are 1.95 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(1) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom.