V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two 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 a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) 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(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms.
V3(O2F)2 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two 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 a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. Both V(1)-O(1) bond lengths are 1.93 Å. Both V(1)-O(2) bond lengths are 1.97 Å. Both V(1)-F(1) bond lengths are 2.01 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There is one shorter (1.87 Å) and one longer (1.96 Å) V(2)-O(1) bond length. There is one shorter (1.85 Å) and one longer (1.94 Å) V(2)-O(2) bond length. There is one shorter (2.10 Å) and one longer (2.14 Å) V(2)-F(1) bond length. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) 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(2) atoms. F(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent V(2) atoms.