Li5V3(FeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second V site, V(2) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to one Li(3), one O(1), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Li(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Fe(1) atom.
Li5V3(FeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(3) atoms. The Li(1)-O(4) bond length is 2.30 Å. There is one shorter (1.95 Å) and one longer (2.31 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. The Li(2)-O(2) bond length is 2.33 Å. The Li(2)-O(4) bond length is 2.15 Å. The Li(2)-O(5) bond length is 1.95 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Fe(1) bond lengths are 2.28 Å. Both Li(3)-O(3) bond lengths are 2.41 Å. Both Li(3)-O(5) bond lengths are 2.11 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one O(1), one O(2), and one O(4) atom. The V(1)-O(1) bond length is 2.23 Å. The V(1)-O(2) bond length is 1.95 Å. The V(1)-O(4) bond length is 1.91 Å. In the second V site, V(2) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. Both V(2)-O(1) bond lengths are 1.98 Å. Fe(1) is bonded in a 2-coordinate geometry to one Li(3), one O(1), one O(3), and one O(5) atom. The Fe(1)-O(1) bond length is 2.33 Å. The Fe(1)-O(3) bond length is 1.87 Å. The Fe(1)-O(5) bond length is 2.03 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Li(2) and one V(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Li(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one V(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Fe(1) atom.