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 3-coordinate geometry to one Ni(1), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Ni(1), 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 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) and two equivalent O(2) atoms. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Ni(1), one O(1), one O(4), and two equivalent O(2) atoms. Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Co(2), one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Co(1), one Co(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), two equivalent Co(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Co(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and two equivalent Ni(1) atoms.
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 3-coordinate geometry to one Ni(1), one O(4), and two equivalent O(3) atoms. The Li(1)-Ni(1) bond length is 2.37 Å. The Li(1)-O(4) bond length is 2.23 Å. There is one shorter (1.95 Å) and one longer (2.23 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Ni(1), one O(2), one O(4), and one O(5) atom. The Li(2)-Ni(1) bond length is 2.37 Å. The Li(2)-O(2) bond length is 2.25 Å. The Li(2)-O(4) bond length is 2.09 Å. The Li(2)-O(5) bond length is 1.84 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Ni(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Ni(1) bond lengths are 2.19 Å. Both Li(3)-O(3) bond lengths are 2.25 Å. Both Li(3)-O(5) bond lengths are 2.09 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) and two equivalent O(2) atoms. Both Co(1)-O(1) bond lengths are 1.81 Å. Both Co(1)-O(2) bond lengths are 2.27 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one Ni(1), one O(1), one O(4), and two equivalent O(2) atoms. The Co(2)-Ni(1) bond length is 2.20 Å. The Co(2)-O(1) bond length is 2.07 Å. The Co(2)-O(4) bond length is 1.86 Å. There is one shorter (1.86 Å) and one longer (2.28 Å) Co(2)-O(2) bond length. Ni(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Co(2), one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Ni(1)-O(1) bond length is 2.25 Å. The Ni(1)-O(4) bond length is 2.38 Å. There is one shorter (2.49 Å) and one longer (2.51 Å) Ni(1)-O(2) bond length. There is one shorter (1.91 Å) and one longer (2.40 Å) Ni(1)-O(3) bond length. There is one shorter (2.02 Å) and one longer (2.51 Å) Ni(1)-O(5) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Co(1), one Co(2), and one Ni(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), two equivalent Co(2), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), one Co(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and two equivalent Ni(1) atoms.