Li4Co2Cu3Sb3O16 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, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. 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,  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 55-71°. In the third Li site, Li(3) is bonded in a distorted 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  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 46-55°. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. 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  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(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. 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 Co(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, and edges with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. 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  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. 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 Co(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, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. 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 Co(1), one Cu(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Co(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLiCoCu2 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 trigonal pyramids that share corners with two equivalent O(9)LiCoCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiCoCu2 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)LiCoCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb trigonal pyramids. 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 corner-sharing OLiCuSb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(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 Co(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Co(1), and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Co(2), one Cu(2), and one Sb(2) atom to form distorted OLiCoCuSb tetrahedra that share  a cornercorner with one O(9)LiCoCuSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and  an edgeedge with one O(9)LiCoCuSb tetrahedra. 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 rectangular see-saw-like geometry to one Li(2), one Co(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), and two equivalent Sb(2) atoms.
Li4Co2Cu3Sb3O16 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, and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-61°. The Li(1)-O(12) bond length is 2.06 Å. The Li(1)-O(3) bond length is 2.04 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,  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 55-71°. The Li(2)-O(5) bond length is 1.80 Å. The Li(2)-O(7) bond length is 1.94 Å. Both Li(2)-O(11) bond lengths are 1.99 Å. In the third Li site, Li(3) is bonded in a distorted 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 1.83 Å. The Li(3)-O(8) bond length is 2.19 Å. Both Li(3)-O(1) bond lengths are 1.95 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 Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. The Li(4)-O(10) bond length is 2.07 Å. The Li(4)-O(2) bond length is 1.97 Å. Both Li(4)-O(6) bond lengths are 1.98 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form distorted CoO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  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 46-55°. The Co(1)-O(2) bond length is 1.76 Å. The Co(1)-O(8) bond length is 2.41 Å. Both Co(1)-O(1) bond lengths are 2.12 Å. Both Co(1)-O(6) bond lengths are 2.15 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. The Co(2)-O(12) bond length is 2.28 Å. The Co(2)-O(7) bond length is 1.75 Å. Both Co(2)-O(11) bond lengths are 2.06 Å. Both Co(2)-O(9) bond lengths are 2.23 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  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(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 Cu(1)-O(11) bond length is 2.07 Å. The Cu(1)-O(2) bond length is 2.15 Å. The Cu(1)-O(3) bond length is 1.99 Å. The Cu(1)-O(4) bond length is 1.96 Å. The Cu(1)-O(6) bond length is 2.10 Å. The Cu(1)-O(7) bond length is 2.20 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 Co(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, and edges with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. The Cu(2)-O(10) bond length is 2.22 Å. The Cu(2)-O(5) bond length is 2.12 Å. Both Cu(2)-O(1) bond lengths are 2.08 Å. Both Cu(2)-O(9) bond lengths are 2.04 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  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(4) bond length is 2.03 Å. Both Sb(1)-O(11) bond lengths are 2.07 Å. Both Sb(1)-O(6) bond lengths are 2.01 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 Co(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, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Sb(2)-O(1) bond length is 2.01 Å. The Sb(2)-O(10) bond length is 2.03 Å. The Sb(2)-O(12) bond length is 2.06 Å. The Sb(2)-O(5) bond length is 2.02 Å. The Sb(2)-O(8) bond length is 2.05 Å. The Sb(2)-O(9) bond length is 1.98 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 Co(1), one Cu(2), and one Sb(2) atom. In the second O site, O(2) is bonded to one Li(4), one Co(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OLiCoCu2 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 trigonal pyramids that share corners with two equivalent O(9)LiCoCuSb tetrahedra, corners with three equivalent O(4)LiCu2Sb tetrahedra, and  an edgeedge with one O(2)LiCoCu2 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)LiCoCu2 tetrahedra and corners with three equivalent O(3)LiCu2Sb trigonal pyramids. 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 corner-sharing OLiCuSb2 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Co(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 Co(2), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Co(1), and two equivalent Sb(2) atoms. In the ninth O site, O(9) is bonded to one Li(1), one Co(2), one Cu(2), and one Sb(2) atom to form distorted OLiCoCuSb tetrahedra that share  a cornercorner with one O(9)LiCoCuSb tetrahedra,  a cornercorner with one O(3)LiCu2Sb trigonal pyramid, corners with two equivalent O(5)LiCuSb2 trigonal pyramids, and  an edgeedge with one O(9)LiCoCuSb tetrahedra. 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 rectangular see-saw-like geometry to one Li(2), one Co(2), one Cu(1), and one Sb(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), and two equivalent Sb(2) atoms.