Li5Co2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-22°. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(3), one O(4), and one O(6) atom. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Co(1), and one Cu(4) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2CoCu3 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, edges with four equivalent O(4)Li2CoCu3 octahedra, and edges with three equivalent O(2)Li2CoCu2 square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Cu(2), and one Cu(4) atom to form OLi3CoCu2 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra, and edges with four equivalent O(3)Li3CoCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), and one Cu(3) atom to form distorted OLi2CoCu2 square pyramids that share corners with two equivalent O(4)Li2CoCu3 octahedra, corners with two equivalent O(6)Li2CoCu3 octahedra, corners with two equivalent O(1)Li3CoCu2 octahedra, corners with two equivalent O(3)Li3CoCu2 octahedra,  a cornercorner with one O(2)Li2CoCu2 square pyramid, edges with three equivalent O(4)Li2CoCu3 octahedra, edges with three equivalent O(6)Li2CoCu3 octahedra, and  an edgeedge with one O(2)Li2CoCu2 square pyramid. The corner-sharing octahedral tilt angles range from 13-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Cu(2), and one Cu(4) atom to form OLi3CoCu2 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, and edges with four equivalent O(1)Li3CoCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2CoCu3 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, edges with four equivalent O(6)Li2CoCu3 octahedra, and edges with three equivalent O(2)Li2CoCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°.
Li5Co2Cu5O12 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-22°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-O(2) bond length is 2.11 Å. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(4) bond length is 2.12 Å. The Li(1)-O(5) bond length is 2.04 Å. The Li(1)-O(6) bond length is 2.20 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-23°. The Li(2)-O(1) bond length is 2.14 Å. The Li(2)-O(2) bond length is 2.09 Å. The Li(2)-O(3) bond length is 2.10 Å. The Li(2)-O(4) bond length is 2.27 Å. The Li(2)-O(5) bond length is 1.99 Å. The Li(2)-O(6) bond length is 2.09 Å. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-19°. Both Li(3)-O(1) bond lengths are 2.09 Å. Both Li(3)-O(3) bond lengths are 2.34 Å. Both Li(3)-O(5) bond lengths are 2.01 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. Both Co(1)-O(1) bond lengths are 1.88 Å. Both Co(1)-O(3) bond lengths are 1.91 Å. Both Co(1)-O(5) bond lengths are 1.92 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both Co(2)-O(2) bond lengths are 1.92 Å. Both Co(2)-O(4) bond lengths are 1.91 Å. Both Co(2)-O(6) bond lengths are 1.91 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-22°. Both Cu(1)-O(2) bond lengths are 1.97 Å. Both Cu(1)-O(4) bond lengths are 2.35 Å. Both Cu(1)-O(6) bond lengths are 2.02 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(1), one O(3), one O(4), and one O(6) atom. The Cu(2)-O(1) bond length is 1.91 Å. The Cu(2)-O(3) bond length is 1.98 Å. The Cu(2)-O(4) bond length is 1.98 Å. The Cu(2)-O(6) bond length is 1.92 Å. In the third Cu site, Cu(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Co(2)O6 octahedra, and edges with three equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. Both Cu(3)-O(2) bond lengths are 1.96 Å. Both Cu(3)-O(4) bond lengths are 1.98 Å. Both Cu(3)-O(6) bond lengths are 2.40 Å. In the fourth Cu site, Cu(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Both Cu(4)-O(1) bond lengths are 2.34 Å. Both Cu(4)-O(3) bond lengths are 1.98 Å. Both Cu(4)-O(5) bond lengths are 1.93 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Co(1), and one Cu(4) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2CoCu3 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, edges with four equivalent O(4)Li2CoCu3 octahedra, and edges with three equivalent O(2)Li2CoCu2 square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Cu(2), and one Cu(4) atom to form OLi3CoCu2 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra, and edges with four equivalent O(3)Li3CoCu2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the fourth O site, O(2) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), and one Cu(3) atom to form distorted OLi2CoCu2 square pyramids that share corners with two equivalent O(4)Li2CoCu3 octahedra, corners with two equivalent O(6)Li2CoCu3 octahedra, corners with two equivalent O(1)Li3CoCu2 octahedra, corners with two equivalent O(3)Li3CoCu2 octahedra,  a cornercorner with one O(2)Li2CoCu2 square pyramid, edges with three equivalent O(4)Li2CoCu3 octahedra, edges with three equivalent O(6)Li2CoCu3 octahedra, and  an edgeedge with one O(2)Li2CoCu2 square pyramid. The corner-sharing octahedral tilt angles range from 13-81°. In the fifth O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Cu(2), and one Cu(4) atom to form OLi3CoCu2 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(6)Li2CoCu3 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, and edges with four equivalent O(1)Li3CoCu2 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Co(2), one Cu(1), one Cu(2), and one Cu(3) atom to form OLi2CoCu3 octahedra that share  a cornercorner with one O(4)Li2CoCu3 octahedra,  a cornercorner with one O(6)Li2CoCu3 octahedra,  a cornercorner with one O(1)Li3CoCu2 octahedra,  a cornercorner with one O(3)Li3CoCu2 octahedra, corners with two equivalent O(2)Li2CoCu2 square pyramids,  an edgeedge with one O(4)Li2CoCu3 octahedra,  an edgeedge with one O(1)Li3CoCu2 octahedra,  an edgeedge with one O(3)Li3CoCu2 octahedra, edges with four equivalent O(6)Li2CoCu3 octahedra, and edges with three equivalent O(2)Li2CoCu2 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°.