Li5Co3(NiO5)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 Li(3), two equivalent Ni(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Ni(1), one O(4), and one O(5) atom. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Li(2), one O(1), one O(2), and one O(4) atom. Ni(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(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 Co(1), one Co(2), and one O(4) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(2) and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Ni(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Co(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Ni(1), and one O(3) atom.
Li5Co3(NiO5)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 Li(3), two equivalent Ni(1), and two equivalent O(3) atoms. The Li(1)-Li(3) bond length is 1.88 Å. There is one shorter (1.86 Å) and one longer (2.18 Å) Li(1)-Ni(1) bond length. There is one shorter (2.18 Å) and one longer (2.50 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(3), one Co(2), one Ni(1), one O(4), and one O(5) atom. The Li(2)-Li(3) bond length is 2.18 Å. The Li(2)-Co(2) bond length is 1.73 Å. The Li(2)-Ni(1) bond length is 1.95 Å. The Li(2)-O(4) bond length is 2.13 Å. The Li(2)-O(5) bond length is 1.94 Å. In the third Li site, Li(3) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Ni(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Ni(1) bond lengths are 2.16 Å. Both Li(3)-O(3) bond lengths are 2.51 Å. Both Li(3)-O(5) bond lengths are 2.53 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. Both Co(1)-O(1) bond lengths are 2.01 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Li(2), one O(1), one O(2), and one O(4) atom. The Co(2)-O(1) bond length is 2.25 Å. The Co(2)-O(2) bond length is 2.21 Å. The Co(2)-O(4) bond length is 2.13 Å. Ni(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(3), and one O(5) atom. The Ni(1)-O(3) bond length is 2.23 Å. The Ni(1)-O(5) bond length is 2.18 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one O(4) atom. The O(1)-O(4) bond length is 1.77 Å. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Co(2) and one O(2) atom. The O(2)-O(2) bond length is 1.59 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Ni(1), and one O(5) atom. The O(3)-O(5) bond length is 1.63 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(2), one Co(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), one Ni(1), and one O(3) atom.