Li4Mn2Co3Cu3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Co(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Cu(1) atoms to form distorted OLiMnCu2 tetrahedra that share  a cornercorner with one O(10)LiCo2Cu tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra, corners with two equivalent O(6)LiMnCoCu trigonal pyramids, and edges with two equivalent O(6)LiMnCoCu trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Cu(1) atoms to form OLiCoCu2 tetrahedra that share corners with two equivalent O(2)LiMnCu2 tetrahedra and corners with four equivalent O(6)LiMnCoCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Cu(2) atom to form OLiCo2Cu tetrahedra that share corners with three equivalent O(10)LiCo2Cu tetrahedra and corners with two equivalent O(12)LiMnCo2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Cu(1) atom to form distorted OLiMnCoCu trigonal pyramids that share  a cornercorner with one O(10)LiCo2Cu tetrahedra,  a cornercorner with one O(2)LiMnCu2 tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra,  a cornercorner with one O(6)LiMnCoCu trigonal pyramid,  an edgeedge with one O(2)LiMnCu2 tetrahedra, and  an edgeedge with one O(6)LiMnCoCu trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Co(2), and one Cu(2) atom to form distorted OLiCo2Cu tetrahedra that share  a cornercorner with one O(2)LiMnCu2 tetrahedra, corners with three equivalent O(5)LiCo2Cu tetrahedra, corners with two equivalent O(6)LiMnCoCu trigonal pyramids, and  an edgeedge with one O(12)LiMnCo2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(2), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLiMnCo2 trigonal pyramids.
Li4Mn2Co3Cu3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Li(1)-O(12) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.99 Å. Both Li(1)-O(9) bond lengths are 1.93 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-67°. The Li(2)-O(5) bond length is 1.77 Å. The Li(2)-O(7) bond length is 1.92 Å. Both Li(2)-O(11) bond lengths are 1.93 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-66°. The Li(3)-O(4) bond length is 1.78 Å. The Li(3)-O(8) bond length is 1.90 Å. Both Li(3)-O(1) bond lengths are 1.90 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. The Li(4)-O(10) bond length is 1.96 Å. The Li(4)-O(2) bond length is 1.93 Å. Both Li(4)-O(6) bond lengths are 1.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Mn(1)-O(2) bond length is 1.99 Å. The Mn(1)-O(8) bond length is 1.95 Å. Both Mn(1)-O(1) bond lengths are 1.93 Å. Both Mn(1)-O(6) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(7) bond length is 1.94 Å. Both Mn(2)-O(11) bond lengths are 2.01 Å. Both Mn(2)-O(9) bond lengths are 1.94 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. The Co(1)-O(3) bond length is 1.87 Å. The Co(1)-O(4) bond length is 1.87 Å. Both Co(1)-O(11) bond lengths are 1.90 Å. Both Co(1)-O(6) bond lengths are 1.91 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Co(2)-O(1) bond length is 1.97 Å. The Co(2)-O(10) bond length is 1.87 Å. The Co(2)-O(12) bond length is 1.94 Å. The Co(2)-O(5) bond length is 1.88 Å. The Co(2)-O(8) bond length is 1.99 Å. The Co(2)-O(9) bond length is 1.93 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form CuO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Cu(1)-O(11) bond length is 2.12 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(3) bond length is 1.90 Å. The Cu(1)-O(4) bond length is 1.90 Å. The Cu(1)-O(6) bond length is 2.09 Å. The Cu(1)-O(7) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with four equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The Cu(2)-O(10) bond length is 1.91 Å. The Cu(2)-O(5) bond length is 1.91 Å. Both Cu(2)-O(1) bond lengths are 2.03 Å. Both Cu(2)-O(9) bond lengths are 2.03 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Co(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(1), and two equivalent Cu(1) atoms to form distorted OLiMnCu2 tetrahedra that share  a cornercorner with one O(10)LiCo2Cu tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra, corners with two equivalent O(6)LiMnCoCu trigonal pyramids, and edges with two equivalent O(6)LiMnCoCu trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), and two equivalent Cu(1) atoms to form OLiCoCu2 tetrahedra that share corners with two equivalent O(2)LiMnCu2 tetrahedra and corners with four equivalent O(6)LiMnCoCu trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Co(2), and one Cu(2) atom to form OLiCo2Cu tetrahedra that share corners with three equivalent O(10)LiCo2Cu tetrahedra and corners with two equivalent O(12)LiMnCo2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Cu(1) atom to form distorted OLiMnCoCu trigonal pyramids that share  a cornercorner with one O(10)LiCo2Cu tetrahedra,  a cornercorner with one O(2)LiMnCu2 tetrahedra, corners with two equivalent O(4)LiCoCu2 tetrahedra,  a cornercorner with one O(6)LiMnCoCu trigonal pyramid,  an edgeedge with one O(2)LiMnCu2 tetrahedra, and  an edgeedge with one O(6)LiMnCoCu trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), and two equivalent Co(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Cu(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Co(2), and one Cu(2) atom to form distorted OLiCo2Cu tetrahedra that share  a cornercorner with one O(2)LiMnCu2 tetrahedra, corners with three equivalent O(5)LiCo2Cu tetrahedra, corners with two equivalent O(6)LiMnCoCu trigonal pyramids, and  an edgeedge with one O(12)LiMnCo2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(2), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OLiMnCo2 trigonal pyramids.