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 2-coordinate geometry to one V(2), two equivalent Co(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), one Co(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent V(2), two equivalent Co(1), two equivalent O(1), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), one Co(1), one O(1), one O(2), and one O(4) atom. Co(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one V(1), one V(2), 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 O(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Co(1), one O(3), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one V(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one O(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 2-coordinate geometry to one V(2), two equivalent Co(1), and two equivalent O(3) atoms. The Li(1)-V(2) bond length is 2.30 Å. There is one shorter (1.92 Å) and one longer (2.30 Å) Li(1)-Co(1) bond length. There is one shorter (2.13 Å) and one longer (2.36 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), two equivalent V(2), one Co(1), one O(4), and one O(5) atom. The Li(2)-V(1) bond length is 2.55 Å. There is one shorter (1.89 Å) and one longer (2.56 Å) Li(2)-V(2) bond length. The Li(2)-Co(1) bond length is 2.02 Å. The Li(2)-O(4) bond length is 2.02 Å. The Li(2)-O(5) bond length is 2.13 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent O(5) atoms. Both Li(3)-Co(1) bond lengths are 2.19 Å. Both Li(3)-O(5) bond lengths are 2.54 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 10-coordinate geometry to two equivalent Li(2), two equivalent V(2), two equivalent Co(1), two equivalent O(1), and two equivalent O(2) atoms. Both V(1)-V(2) bond lengths are 1.81 Å. Both V(1)-Co(1) bond lengths are 2.40 Å. Both V(1)-O(1) bond lengths are 2.17 Å. Both V(1)-O(2) bond lengths are 2.63 Å. In the second V site, V(2) is bonded in a 8-coordinate geometry to one Li(1), two equivalent Li(2), one V(1), one Co(1), one O(1), one O(2), and one O(4) atom. The V(2)-Co(1) bond length is 2.26 Å. The V(2)-O(1) bond length is 2.14 Å. The V(2)-O(2) bond length is 2.42 Å. The V(2)-O(4) bond length is 1.98 Å. Co(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one V(1), one V(2), one O(3), and one O(5) atom. The Co(1)-O(3) bond length is 2.18 Å. The Co(1)-O(5) bond length is 2.26 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 O(4) atom. The O(1)-O(4) bond length is 1.84 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one O(2) atom. The O(2)-O(2) bond length is 1.79 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), one Co(1), one O(3), and one O(5) atom. The O(3)-O(3) bond length is 1.96 Å. The O(3)-O(5) bond length is 1.75 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one V(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Co(1), and one O(3) atom.