Li4Cr2Mn3Cu3O16 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 Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. 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 Mn(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(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 Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(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 48°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Cr(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 Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. 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 Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(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 53-54°. 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 Cr(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 Cr(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. 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 Cr(1), one Mn(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Cr(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OLiCrCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and two equivalent Cu(1) atoms to form distorted OLiMnCu2 trigonal pyramids that share corners with two equivalent O(9)LiMnCrCu tetrahedra, corners with three equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(12)LiMn2Cr trigonal pyramid, and  an edgeedge with one O(2)LiCrCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Cu(1) atoms to form OLiMnCu2 tetrahedra that share corners with two equivalent O(2)LiCrCu2 tetrahedra and corners with three equivalent O(3)LiMnCu2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Cu(2) atom to form distorted OLiMn2Cu tetrahedra that share corners with four equivalent O(9)LiMnCrCu tetrahedra and corners with two equivalent O(12)LiMn2Cr trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), one Mn(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(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 Cr(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Cu(2) atom to form distorted OLiMnCrCu tetrahedra that share  a cornercorner with one O(9)LiMnCrCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(12)LiMn2Cr trigonal pyramid,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(9)LiMnCrCu tetrahedra, and  an edgeedge with one O(12)LiMn2Cr trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Mn(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr trigonal pyramids that share corners with two equivalent O(5)LiMn2Cu tetrahedra, corners with two equivalent O(9)LiMnCrCu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid, and edges with two equivalent O(9)LiMnCrCu tetrahedra.
Li4Cr2Mn3Cu3O16 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 Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-64°. The Li(1)-O(12) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(9) bond lengths are 1.94 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 Mn(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. The Li(2)-O(5) bond length is 1.78 Å. The Li(2)-O(7) bond length is 1.86 Å. Both Li(2)-O(11) bond lengths are 1.90 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.79 Å. The Li(3)-O(8) bond length is 1.96 Å. Both Li(3)-O(1) bond lengths are 1.91 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(4)-O(10) bond length is 2.01 Å. The Li(4)-O(2) bond length is 1.94 Å. Both Li(4)-O(6) bond lengths are 1.94 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Cr(1)-O(2) bond length is 2.05 Å. The Cr(1)-O(8) bond length is 2.09 Å. Both Cr(1)-O(1) bond lengths are 2.01 Å. Both Cr(1)-O(6) bond lengths are 2.02 Å. In the second Cr site, Cr(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Mn(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 Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Cr(2)-O(12) bond length is 2.10 Å. The Cr(2)-O(7) bond length is 1.97 Å. Both Cr(2)-O(11) bond lengths are 1.97 Å. Both Cr(2)-O(9) bond lengths are 2.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(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 48°. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(4) bond length is 1.93 Å. Both Mn(1)-O(11) bond lengths are 1.97 Å. Both Mn(1)-O(6) bond lengths are 1.93 Å. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Cr(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 Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(2)-O(1) bond length is 1.96 Å. The Mn(2)-O(10) bond length is 1.92 Å. The Mn(2)-O(12) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 1.91 Å. The Mn(2)-O(8) bond length is 1.98 Å. The Mn(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 Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Mn(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 53-54°. The Cu(1)-O(11) bond length is 2.15 Å. The Cu(1)-O(2) bond length is 1.98 Å. The Cu(1)-O(3) bond length is 1.91 Å. The Cu(1)-O(4) bond length is 1.90 Å. The Cu(1)-O(6) bond length is 2.11 Å. The Cu(1)-O(7) bond length is 2.02 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 Cr(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 Cr(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. The Cu(2)-O(10) bond length is 1.99 Å. The Cu(2)-O(5) bond length is 1.97 Å. Both Cu(2)-O(1) bond lengths are 2.05 Å. Both Cu(2)-O(9) bond lengths are 2.04 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 Cr(1), one Mn(2), and one Cu(2) atom. In the second O site, O(2) is bonded to one Li(4), one Cr(1), and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing OLiCrCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and two equivalent Cu(1) atoms to form distorted OLiMnCu2 trigonal pyramids that share corners with two equivalent O(9)LiMnCrCu tetrahedra, corners with three equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(12)LiMn2Cr trigonal pyramid, and  an edgeedge with one O(2)LiCrCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Cu(1) atoms to form OLiMnCu2 tetrahedra that share corners with two equivalent O(2)LiCrCu2 tetrahedra and corners with three equivalent O(3)LiMnCu2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Cu(2) atom to form distorted OLiMn2Cu tetrahedra that share corners with four equivalent O(9)LiMnCrCu tetrahedra and corners with two equivalent O(12)LiMn2Cr trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cr(1), one Mn(1), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(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 Cr(1), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Cu(2) atom to form distorted OLiMnCrCu tetrahedra that share  a cornercorner with one O(9)LiMnCrCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(12)LiMn2Cr trigonal pyramid,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(9)LiMnCrCu tetrahedra, and  an edgeedge with one O(12)LiMn2Cr trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(2), one Mn(1), and one Cu(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr trigonal pyramids that share corners with two equivalent O(5)LiMn2Cu tetrahedra, corners with two equivalent O(9)LiMnCrCu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid, and edges with two equivalent O(9)LiMnCrCu tetrahedra.