Li5Cu5(SbO6)2 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 Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. 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 Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-23°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Cu(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(6) atom. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. In the third Cu site, Cu(3) is bonded to two equivalent O(3), two equivalent O(5), 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 Cu(4)O6 octahedra, and edges with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(3), two equivalent O(5), 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 Cu(3)O6 octahedra, and edges with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form SbO6 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(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Cu(2), and one Sb(1) atom to form distorted OLi3CuSb trigonal bipyramids that share corners with two equivalent O(5)Li2Cu3Sb octahedra, corners with two equivalent O(6)Li2Cu3Sb octahedra, corners with two equivalent O(2)Li3Cu2Sb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(1)Li3CuSb trigonal bipyramid, edges with three equivalent O(2)Li3Cu2Sb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(3)Li2Cu2Sb trigonal bipyramid, and  an edgeedge with one O(1)Li3CuSb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-81°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Sb(1) atom to form OLi3Cu2Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra, edges with four equivalent O(4)Li3Cu2Sb octahedra, and edges with three equivalent O(1)Li3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu2Sb trigonal bipyramids that share corners with two equivalent O(5)Li2Cu3Sb octahedra, corners with two equivalent O(6)Li2Cu3Sb octahedra, corners with two equivalent O(2)Li3Cu2Sb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(3)Li2Cu2Sb trigonal bipyramid, edges with three equivalent O(5)Li2Cu3Sb octahedra, edges with three equivalent O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(3)Li2Cu2Sb trigonal bipyramid, and  an edgeedge with one O(1)Li3CuSb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-81°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted OLi3Cu2Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(2)Li3Cu2Sb octahedra, and edges with three equivalent O(1)Li3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu3Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(6)Li2Cu3Sb octahedra, and edges with three equivalent O(3)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu3Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(5)Li2Cu3Sb octahedra, and edges with three equivalent O(3)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-4°.
Li5Cu5(SbO6)2 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 Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.20 Å. The Li(1)-O(5) bond length is 2.42 Å. The Li(1)-O(6) bond length is 2.16 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 Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-23°. The Li(2)-O(1) bond length is 2.13 Å. The Li(2)-O(2) bond length is 2.42 Å. The Li(2)-O(3) bond length is 2.22 Å. The Li(2)-O(4) bond length is 2.06 Å. The Li(2)-O(5) bond length is 2.11 Å. The Li(2)-O(6) bond length is 2.26 Å. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Cu(2)O6 octahedra, and edges with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. Both Li(3)-O(1) bond lengths are 2.03 Å. Both Li(3)-O(2) bond lengths are 2.46 Å. Both Li(3)-O(4) bond lengths are 2.22 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(2), one O(4), one O(5), and one O(6) atom. The Cu(1)-O(2) bond length is 2.11 Å. The Cu(1)-O(4) bond length is 1.96 Å. The Cu(1)-O(5) bond length is 2.12 Å. The Cu(1)-O(6) bond length is 1.99 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) 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 Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-23°. Both Cu(2)-O(1) bond lengths are 2.00 Å. Both Cu(2)-O(2) bond lengths are 2.02 Å. Both Cu(2)-O(4) bond lengths are 2.58 Å. In the third Cu site, Cu(3) is bonded to two equivalent O(3), two equivalent O(5), 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 Cu(4)O6 octahedra, and edges with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. Both Cu(3)-O(3) bond lengths are 2.03 Å. Both Cu(3)-O(5) bond lengths are 2.54 Å. Both Cu(3)-O(6) bond lengths are 2.12 Å. In the fourth Cu site, Cu(4) is bonded to two equivalent O(3), two equivalent O(5), 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 Cu(3)O6 octahedra, and edges with three equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-25°. Both Cu(4)-O(3) bond lengths are 2.02 Å. Both Cu(4)-O(5) bond lengths are 2.05 Å. Both Cu(4)-O(6) bond lengths are 2.60 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form SbO6 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. Both Sb(1)-O(1) bond lengths are 2.04 Å. Both Sb(1)-O(2) bond lengths are 2.02 Å. Both Sb(1)-O(4) bond lengths are 1.99 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form SbO6 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(3)O6 octahedra, and edges with three equivalent Cu(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Both Sb(2)-O(3) bond lengths are 2.04 Å. Both Sb(2)-O(5) bond lengths are 2.00 Å. Both Sb(2)-O(6) bond lengths are 2.01 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Cu(2), and one Sb(1) atom to form distorted OLi3CuSb trigonal bipyramids that share corners with two equivalent O(5)Li2Cu3Sb octahedra, corners with two equivalent O(6)Li2Cu3Sb octahedra, corners with two equivalent O(2)Li3Cu2Sb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(1)Li3CuSb trigonal bipyramid, edges with three equivalent O(2)Li3Cu2Sb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(3)Li2Cu2Sb trigonal bipyramid, and  an edgeedge with one O(1)Li3CuSb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 10-81°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Sb(1) atom to form OLi3Cu2Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra, edges with four equivalent O(4)Li3Cu2Sb octahedra, and edges with three equivalent O(1)Li3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu2Sb trigonal bipyramids that share corners with two equivalent O(5)Li2Cu3Sb octahedra, corners with two equivalent O(6)Li2Cu3Sb octahedra, corners with two equivalent O(2)Li3Cu2Sb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(3)Li2Cu2Sb trigonal bipyramid, edges with three equivalent O(5)Li2Cu3Sb octahedra, edges with three equivalent O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(3)Li2Cu2Sb trigonal bipyramid, and  an edgeedge with one O(1)Li3CuSb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-81°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted OLi3Cu2Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(2)Li3Cu2Sb octahedra, and edges with three equivalent O(1)Li3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu3Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(5)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(6)Li2Cu3Sb octahedra, and edges with three equivalent O(3)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(3), one Cu(4), and one Sb(2) atom to form distorted OLi2Cu3Sb octahedra that share  a cornercorner with one O(5)Li2Cu3Sb octahedra,  a cornercorner with one O(6)Li2Cu3Sb octahedra,  a cornercorner with one O(2)Li3Cu2Sb octahedra,  a cornercorner with one O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li2Cu2Sb trigonal bipyramids, corners with two equivalent O(1)Li3CuSb trigonal bipyramids,  an edgeedge with one O(6)Li2Cu3Sb octahedra,  an edgeedge with one O(2)Li3Cu2Sb octahedra,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with four equivalent O(5)Li2Cu3Sb octahedra, and edges with three equivalent O(3)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-4°.