Li5V3(CoO5)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 1-coordinate geometry to 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), one O(5), and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Co(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 two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Co(1) is bonded in a 1-coordinate geometry to one Li(3), one O(1), and two equivalent O(3) atoms. 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 Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 8-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(2), one V(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2) and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Li(3) atom.
Li5V3(CoO5)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 1-coordinate geometry to two equivalent O(3) atoms. There is one shorter (1.90 Å) and one longer (2.18 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), one O(5), and two equivalent O(3) atoms. The Li(2)-O(2) bond length is 2.32 Å. The Li(2)-O(4) bond length is 2.04 Å. The Li(2)-O(5) bond length is 2.01 Å. There is one shorter (2.40 Å) and one longer (2.46 Å) Li(2)-O(3) bond length. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Co(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Co(1) bond lengths are 2.26 Å. Both Li(3)-O(3) bond lengths are 2.40 Å. Both Li(3)-O(5) bond lengths are 2.08 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both V(1)-O(1) bond lengths are 1.97 Å. Both V(1)-O(2) bond lengths are 2.36 Å. In the second V site, V(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The V(2)-O(1) bond length is 2.07 Å. The V(2)-O(2) bond length is 1.98 Å. The V(2)-O(3) bond length is 2.44 Å. The V(2)-O(4) bond length is 1.85 Å. Co(1) is bonded in a 1-coordinate geometry to one Li(3), one O(1), and two equivalent O(3) atoms. The Co(1)-O(1) bond length is 2.31 Å. There is one shorter (1.92 Å) and one longer (2.54 Å) Co(1)-O(3) bond length. 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 Co(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 8-coordinate geometry to one Li(3), two equivalent Li(1), two equivalent Li(2), one V(2), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2) and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(2) and one Li(3) atom.