V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(16), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(17), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(16), one F(4), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(13), one F(17), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(15), one F(19), one F(5), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(14), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(14), one F(18), one F(2), and one F(20) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-38°. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(15), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom.
V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(16), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. The V(1)-O(2) bond length is 1.68 Å. The V(1)-F(1) bond length is 1.95 Å. The V(1)-F(16) bond length is 2.01 Å. The V(1)-F(2) bond length is 1.95 Å. The V(1)-F(4) bond length is 1.91 Å. The V(1)-F(7) bond length is 1.96 Å. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(17), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. The V(2)-O(1) bond length is 1.68 Å. The V(2)-F(10) bond length is 1.94 Å. The V(2)-F(12) bond length is 1.97 Å. The V(2)-F(17) bond length is 1.93 Å. The V(2)-F(3) bond length is 1.96 Å. The V(2)-F(8) bond length is 2.03 Å. In the third V site, V(3) is bonded to one O(3), one F(11), one F(16), one F(4), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. The V(3)-O(3) bond length is 1.86 Å. The V(3)-F(11) bond length is 1.91 Å. The V(3)-F(16) bond length is 1.91 Å. The V(3)-F(4) bond length is 1.99 Å. The V(3)-F(5) bond length is 1.90 Å. The V(3)-F(7) bond length is 1.91 Å. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(13), one F(17), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. The V(4)-O(4) bond length is 1.68 Å. The V(4)-F(10) bond length is 2.00 Å. The V(4)-F(13) bond length is 1.98 Å. The V(4)-F(17) bond length is 1.95 Å. The V(4)-F(6) bond length is 1.95 Å. The V(4)-F(8) bond length is 1.91 Å. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(15), one F(19), one F(5), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. The V(5)-O(3) bond length is 1.68 Å. The V(5)-F(11) bond length is 1.95 Å. The V(5)-F(15) bond length is 1.93 Å. The V(5)-F(19) bond length is 2.03 Å. The V(5)-F(5) bond length is 1.95 Å. The V(5)-F(9) bond length is 1.94 Å. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(14), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. The V(6)-O(4) bond length is 1.86 Å. The V(6)-F(13) bond length is 1.89 Å. The V(6)-F(14) bond length is 1.90 Å. The V(6)-F(18) bond length is 2.01 Å. The V(6)-F(20) bond length is 1.94 Å. The V(6)-F(6) bond length is 1.92 Å. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(14), one F(18), one F(2), and one F(20) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-38°. The V(7)-O(2) bond length is 1.86 Å. The V(7)-F(1) bond length is 1.92 Å. The V(7)-F(14) bond length is 2.00 Å. The V(7)-F(18) bond length is 1.89 Å. The V(7)-F(2) bond length is 1.92 Å. The V(7)-F(20) bond length is 1.92 Å. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(15), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. The V(8)-O(1) bond length is 1.86 Å. The V(8)-F(12) bond length is 1.90 Å. The V(8)-F(15) bond length is 1.99 Å. The V(8)-F(19) bond length is 1.91 Å. The V(8)-F(3) bond length is 1.91 Å. The V(8)-F(9) bond length is 1.93 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom.