Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one F(1) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(1) atom. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(7), one O(2), one O(3), one O(4), and one O(5) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(6), one O(1), one O(4), one O(5), and one F(1) atom. V(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Li(6) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Li(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(7), and one V(1) atom. F(1) is bonded in a distorted T-shaped geometry to one Li(3), one Li(5), and one Li(7) atom.
Li7VO5F crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. The Li(1)-O(1) bond length is 2.21 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.71 Å. The Li(1)-O(5) bond length is 1.93 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one O(1) and one O(4) atom. The Li(2)-O(1) bond length is 1.81 Å. The Li(2)-O(4) bond length is 1.69 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one F(1) atom. The Li(3)-O(1) bond length is 2.02 Å. The Li(3)-O(2) bond length is 1.58 Å. The Li(3)-F(1) bond length is 1.68 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The Li(4)-O(1) bond length is 2.01 Å. The Li(4)-O(3) bond length is 1.48 Å. The Li(4)-O(4) bond length is 1.69 Å. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one F(1) atom. The Li(5)-O(2) bond length is 1.97 Å. The Li(5)-O(5) bond length is 2.00 Å. The Li(5)-F(1) bond length is 2.37 Å. In the sixth Li site, Li(6) is bonded in a 5-coordinate geometry to one Li(7), one O(2), one O(3), one O(4), and one O(5) atom. The Li(6)-Li(7) bond length is 1.42 Å. The Li(6)-O(2) bond length is 1.93 Å. The Li(6)-O(3) bond length is 1.77 Å. The Li(6)-O(4) bond length is 2.35 Å. The Li(6)-O(5) bond length is 2.09 Å. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one Li(6), one O(1), one O(4), one O(5), and one F(1) atom. The Li(7)-O(1) bond length is 1.97 Å. The Li(7)-O(4) bond length is 2.13 Å. The Li(7)-O(5) bond length is 2.30 Å. The Li(7)-F(1) bond length is 1.75 Å. V(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(5) atom. The V(1)-O(1) bond length is 1.70 Å. The V(1)-O(2) bond length is 2.07 Å. The V(1)-O(5) bond length is 1.70 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted pentagonal pyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(6), and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Li(6) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Li(4), one Li(6), and one Li(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Li(6), one Li(7), and one V(1) atom. F(1) is bonded in a distorted T-shaped geometry to one Li(3), one Li(5), and one Li(7) atom.