Li4Cr2Cu3Sb3O16 is Hausmannite-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 Sb(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 Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. 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 Sb(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-72°. 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 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. 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 trigonal pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(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 47-66°. 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 Sb(2)O6 octahedra, corners with three equivalent Li(3)O4 trigonal pyramids, corners with three equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 distorted CrO6 octahedra that share corners with two equivalent Sb(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 Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. 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 distorted CuO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  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 49°. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(1), one Cu(2), and one Sb(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), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb tetrahedra that share corners with two equivalent O(9)LiCrCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiCrSb2 trigonal pyramid, and  an edgeedge with one O(2)LiCrCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiCrCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted OLiCuSb2 trigonal pyramids that share corners with four equivalent O(9)LiCrCuSb tetrahedra and corners with two equivalent O(12)LiCrSb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Cu(2), and one Sb(2) atom to form distorted OLiCrCuSb tetrahedra that share  a cornercorner with one O(9)LiCrCuSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiCrSb2 trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids,  an edgeedge with one O(9)LiCrCuSb tetrahedra, and  an edgeedge with one O(12)LiCrSb2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Sb(2) atoms to form distorted OLiCrSb2 trigonal pyramids that share  a cornercorner with one O(3)LiCu2Sb tetrahedra, corners with two equivalent O(9)LiCrCuSb tetrahedra, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and edges with two equivalent O(9)LiCrCuSb tetrahedra.
Li4Cr2Cu3Sb3O16 is Hausmannite-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 Sb(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 Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. The Li(1)-O(12) bond length is 2.12 Å. The Li(1)-O(3) bond length is 1.96 Å. Both Li(1)-O(9) bond lengths are 2.02 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 Sb(2)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-72°. The Li(2)-O(5) bond length is 1.79 Å. The Li(2)-O(7) bond length is 1.86 Å. Both Li(2)-O(11) bond lengths are 1.99 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 trigonal pyramids that share  a cornercorner with one Sb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-72°. The Li(3)-O(4) bond length is 1.78 Å. The Li(3)-O(8) bond length is 2.30 Å. Both Li(3)-O(1) bond lengths are 1.94 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 trigonal pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(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 47-66°. The Li(4)-O(10) bond length is 2.04 Å. The Li(4)-O(2) bond length is 1.98 Å. Both Li(4)-O(6) bond lengths are 1.99 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 Sb(2)O6 octahedra, corners with three equivalent Li(3)O4 trigonal pyramids, corners with three equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Cr(1)-O(2) bond length is 1.95 Å. The Cr(1)-O(8) bond length is 2.31 Å. Both Cr(1)-O(1) bond lengths are 2.11 Å. Both Cr(1)-O(6) bond lengths are 2.00 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 distorted CrO6 octahedra that share corners with two equivalent Sb(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 Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Cr(2)-O(12) bond length is 2.22 Å. The Cr(2)-O(7) bond length is 1.92 Å. Both Cr(2)-O(11) bond lengths are 2.02 Å. Both Cr(2)-O(9) bond lengths are 2.14 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 distorted CuO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Cu(1)-O(11) bond length is 2.26 Å. The Cu(1)-O(2) bond length is 2.04 Å. The Cu(1)-O(3) bond length is 1.98 Å. The Cu(1)-O(4) bond length is 1.98 Å. The Cu(1)-O(6) bond length is 2.25 Å. The Cu(1)-O(7) bond length is 2.07 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, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Cu(2)-O(10) bond length is 2.22 Å. The Cu(2)-O(5) bond length is 2.15 Å. Both Cu(2)-O(1) bond lengths are 2.11 Å. Both Cu(2)-O(9) bond lengths are 2.05 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids,  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 49°. The Sb(1)-O(3) bond length is 2.00 Å. The Sb(1)-O(4) bond length is 1.99 Å. Both Sb(1)-O(11) bond lengths are 2.03 Å. Both Sb(1)-O(6) bond lengths are 2.03 Å. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 52°. The Sb(2)-O(1) bond length is 1.99 Å. The Sb(2)-O(10) bond length is 2.01 Å. The Sb(2)-O(12) bond length is 2.07 Å. The Sb(2)-O(5) bond length is 2.00 Å. The Sb(2)-O(8) bond length is 2.04 Å. The Sb(2)-O(9) bond length is 2.00 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(1), one Cu(2), and one Sb(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), two equivalent Cu(1), and one Sb(1) atom to form distorted OLiCu2Sb tetrahedra that share corners with two equivalent O(9)LiCrCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiCrSb2 trigonal pyramid, and  an edgeedge with one O(2)LiCrCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cu(1), and one Sb(1) atom to form OLiCu2Sb tetrahedra that share corners with two equivalent O(2)LiCrCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cu(2), and two equivalent Sb(2) atoms to form distorted OLiCuSb2 trigonal pyramids that share corners with four equivalent O(9)LiCrCuSb tetrahedra and corners with two equivalent O(12)LiCrSb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Cu(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a distorted 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 Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Cu(2), and one Sb(2) atom to form distorted OLiCrCuSb tetrahedra that share  a cornercorner with one O(9)LiCrCuSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb tetrahedra,  a cornercorner with one O(12)LiCrSb2 trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids,  an edgeedge with one O(9)LiCrCuSb tetrahedra, and  an edgeedge with one O(12)LiCrSb2 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(2), and two equivalent Sb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Cr(2), and two equivalent Sb(2) atoms to form distorted OLiCrSb2 trigonal pyramids that share  a cornercorner with one O(3)LiCu2Sb tetrahedra, corners with two equivalent O(9)LiCrCuSb tetrahedra, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and edges with two equivalent O(9)LiCrCuSb tetrahedra.