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 8-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), two equivalent Cu(1), one O(3), and one O(4) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), one Cu(1), one O(2), 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 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 2-coordinate geometry to two equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), one O(1), one O(4), and two equivalent O(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(1), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Cu(1), and one O(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Ni(2), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Cu(1), and one O(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), and one O(3) atom.
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 8-coordinate geometry to one Li(1), one Li(2), one Li(3), one Ni(2), two equivalent Cu(1), one O(3), and one O(4) atom. The Li(1)-Li(1) bond length is 2.15 Å. The Li(1)-Li(2) bond length is 2.17 Å. The Li(1)-Li(3) bond length is 1.92 Å. The Li(1)-Ni(2) bond length is 2.26 Å. There is one shorter (1.88 Å) and one longer (2.23 Å) Li(1)-Cu(1) bond length. The Li(1)-O(3) bond length is 2.21 Å. The Li(1)-O(4) bond length is 2.41 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Ni(2), one Cu(1), one O(2), and one O(5) atom. The Li(2)-Li(3) bond length is 2.21 Å. The Li(2)-Ni(2) bond length is 1.82 Å. The Li(2)-Cu(1) bond length is 1.95 Å. The Li(2)-O(2) bond length is 2.38 Å. The Li(2)-O(5) bond length is 2.05 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 Cu(1), two equivalent O(3), and two equivalent O(5) atoms. Both Li(3)-Cu(1) bond lengths are 2.21 Å. Both Li(3)-O(3) bond lengths are 2.40 Å. Both Li(3)-O(5) bond lengths are 2.59 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent O(1) atoms. Both Ni(1)-O(1) bond lengths are 2.17 Å. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Li(1), one Li(2), one O(1), one O(4), and two equivalent O(2) atoms. The Ni(2)-O(1) bond length is 2.44 Å. The Ni(2)-O(4) bond length is 2.34 Å. There is one shorter (2.46 Å) and one longer (2.52 Å) Ni(2)-O(2) bond length. Cu(1) is bonded in a 2-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one O(1), and one O(3) atom. The Cu(1)-O(1) bond length is 2.60 Å. The Cu(1)-O(3) bond length is 2.49 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), one Cu(1), and one O(4) atom. The O(1)-O(4) bond length is 1.89 Å. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Ni(2), one O(2), and one O(4) atom. The O(2)-O(2) bond length is 1.61 Å. The O(2)-O(4) bond length is 1.97 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Cu(1), and one O(5) atom. The O(3)-O(5) bond length is 1.67 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Ni(2), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Li(2), one Li(3), and one O(3) atom.