Li5Ni3Cu2O10 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 Cu(1), one O(4), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cu(1), one O(2), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Cu(1), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(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 Ni(1), one Ni(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Ni(2), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), and one Cu(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 Cu(1) atoms.
Li5Ni3Cu2O10 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 Cu(1), one O(4), and two equivalent O(3) atoms. The Li(1)-Cu(1) bond length is 2.38 Å. The Li(1)-O(4) bond length is 2.04 Å. There is one shorter (2.01 Å) and one longer (2.45 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cu(1), one O(2), one O(3), and one O(5) atom. The Li(2)-Cu(1) bond length is 2.40 Å. The Li(2)-O(2) bond length is 2.08 Å. The Li(2)-O(3) bond length is 2.28 Å. The Li(2)-O(5) bond length is 1.89 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Cu(1) bond lengths are 2.23 Å. Both Li(3)-O(3) bond lengths are 2.22 Å. Both Li(3)-O(5) bond lengths are 2.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. Both Ni(1)-O(1) bond lengths are 1.90 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Cu(1), one O(1), one O(4), and two equivalent O(2) atoms. The Ni(2)-Cu(1) bond length is 2.25 Å. The Ni(2)-O(1) bond length is 2.22 Å. The Ni(2)-O(4) bond length is 2.03 Å. There is one shorter (2.07 Å) and one longer (2.24 Å) Ni(2)-O(2) bond length. Cu(1) is bonded in a 12-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Cu(1)-O(1) bond length is 2.19 Å. The Cu(1)-O(4) bond length is 2.32 Å. There is one shorter (2.44 Å) and one longer (2.61 Å) Cu(1)-O(2) bond length. There is one shorter (2.06 Å) and one longer (2.36 Å) Cu(1)-O(3) bond length. There is one shorter (2.10 Å) and one longer (2.52 Å) Cu(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 Ni(1), one Ni(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Li(2), two equivalent Ni(2), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), and one Cu(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 Cu(1) atoms.