LiVFeP2(O4F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(8), and one F(1) atom. V(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom. Fe(1) is bonded in a square co-planar geometry to one O(2), one O(7), one F(1), and one F(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second P site, P(2) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one P(1), and one F(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one P(2), and one F(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one Fe(1), and one O(8) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one O(1) atom.
LiVFeP2(O4F)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(8), and one F(1) atom. The Li(1)-O(1) bond length is 2.22 Å. The Li(1)-O(5) bond length is 2.20 Å. The Li(1)-O(8) bond length is 2.44 Å. The Li(1)-F(1) bond length is 2.12 Å. V(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom. The V(1)-O(1) bond length is 2.36 Å. The V(1)-O(3) bond length is 2.46 Å. The V(1)-O(4) bond length is 2.35 Å. The V(1)-O(5) bond length is 2.16 Å. The V(1)-O(6) bond length is 2.49 Å. The V(1)-O(8) bond length is 2.49 Å. The V(1)-F(1) bond length is 2.14 Å. The V(1)-F(2) bond length is 2.06 Å. Fe(1) is bonded in a square co-planar geometry to one O(2), one O(7), one F(1), and one F(2) atom. The Fe(1)-O(2) bond length is 1.98 Å. The Fe(1)-O(7) bond length is 2.01 Å. The Fe(1)-F(1) bond length is 1.96 Å. The Fe(1)-F(2) bond length is 1.80 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. The P(1)-O(1) bond length is 2.40 Å. The P(1)-O(2) bond length is 1.33 Å. The P(1)-O(3) bond length is 1.96 Å. The P(1)-O(5) bond length is 1.28 Å. In the second P site, P(2) is bonded in a 2-coordinate geometry to one O(4), one O(6), one O(7), and one O(8) atom. The P(2)-O(4) bond length is 1.21 Å. The P(2)-O(6) bond length is 1.96 Å. The P(2)-O(7) bond length is 1.27 Å. The P(2)-O(8) bond length is 2.39 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one P(1), and one F(2) atom. The O(1)-F(2) bond length is 1.64 Å. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(1), one V(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one P(2), and one F(1) atom. The O(8)-F(1) bond length is 1.72 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one Fe(1), and one O(8) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one V(1), one Fe(1), and one O(1) atom.