Li5Cu3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-89°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-13°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu2Sb trigonal bipyramids that share corners with two equivalent O(5)Li4CuSb octahedra, corners with three equivalent O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li3Sb2 square pyramids, corners with three equivalent O(2)Li2Cu3Sb square pyramids,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with two equivalent O(5)Li4CuSb octahedra,  an edgeedge with one O(3)Li3Sb2 square pyramid, edges with two equivalent O(2)Li2Cu3Sb square pyramids, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-79°. In the second O site, O(2) is bonded to two equivalent Li(2), one Cu(1), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu3Sb square pyramids that share  a cornercorner with one O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(5)Li4CuSb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with two equivalent O(3)Li3Sb2 square pyramids, corners with three equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with two equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(3)Li3Sb2 square pyramid, edges with two equivalent O(2)Li2Cu3Sb square pyramids, and edges with two equivalent O(1)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Sb(1) atoms to form distorted OLi3Sb2 square pyramids that share corners with three equivalent O(5)Li4CuSb octahedra,  a cornercorner with one O(3)Li3Sb2 square pyramid, corners with two equivalent O(2)Li2Cu3Sb square pyramids, corners with two equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with two equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(2)Li2Cu3Sb square pyramid,  an edgeedge with one O(3)Li3Sb2 square pyramid, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-85°. 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)Li4CuSb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with three equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with three equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(2)Li2Cu3Sb square pyramids, edges with three equivalent O(3)Li3Sb2 square pyramids, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Sb(1) atom to form OLi4CuSb octahedra that share  a cornercorner with one O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(5)Li4CuSb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with three equivalent O(3)Li3Sb2 square pyramids, corners with two equivalent O(1)Li2Cu2Sb trigonal bipyramids,  an edgeedge with one O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra, edges with two equivalent O(2)Li2Cu3Sb square pyramids, edges with two equivalent O(3)Li3Sb2 square pyramids, and edges with two equivalent O(1)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-5°.
Li5Cu3(SbO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-89°. The Li(1)-O(1) bond length is 2.15 Å. The Li(1)-O(3) bond length is 2.26 Å. The Li(1)-O(4) bond length is 2.04 Å. There is one shorter (2.01 Å) and one longer (2.20 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 5-13°. The Li(2)-O(1) bond length is 2.19 Å. The Li(2)-O(3) bond length is 2.28 Å. The Li(2)-O(4) bond length is 2.15 Å. The Li(2)-O(5) bond length is 2.34 Å. There is one shorter (2.07 Å) and one longer (2.17 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O5 trigonal bipyramids, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. Both Li(3)-O(3) bond lengths are 2.08 Å. Both Li(3)-O(4) bond lengths are 2.22 Å. Both Li(3)-O(5) bond lengths are 2.34 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Cu(1)-O(2) bond lengths are 2.16 Å. Both Cu(1)-O(4) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. The Cu(2)-O(4) bond length is 2.47 Å. The Cu(2)-O(5) bond length is 2.05 Å. Both Cu(2)-O(1) bond lengths are 2.07 Å. There is one shorter (2.05 Å) and one longer (2.66 Å) Cu(2)-O(2) bond length. Sb(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-13°. The Sb(1)-O(1) bond length is 2.01 Å. The Sb(1)-O(2) bond length is 1.99 Å. The Sb(1)-O(4) bond length is 2.00 Å. The Sb(1)-O(5) bond length is 1.98 Å. There is one shorter (2.02 Å) and one longer (2.11 Å) Sb(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu2Sb trigonal bipyramids that share corners with two equivalent O(5)Li4CuSb octahedra, corners with three equivalent O(4)Li3Cu2Sb octahedra, corners with two equivalent O(3)Li3Sb2 square pyramids, corners with three equivalent O(2)Li2Cu3Sb square pyramids,  an edgeedge with one O(4)Li3Cu2Sb octahedra, edges with two equivalent O(5)Li4CuSb octahedra,  an edgeedge with one O(3)Li3Sb2 square pyramid, edges with two equivalent O(2)Li2Cu3Sb square pyramids, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-79°. In the second O site, O(2) is bonded to two equivalent Li(2), one Cu(1), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu3Sb square pyramids that share  a cornercorner with one O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(5)Li4CuSb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with two equivalent O(3)Li3Sb2 square pyramids, corners with three equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with two equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(3)Li3Sb2 square pyramid, edges with two equivalent O(2)Li2Cu3Sb square pyramids, and edges with two equivalent O(1)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and two equivalent Sb(1) atoms to form distorted OLi3Sb2 square pyramids that share corners with three equivalent O(5)Li4CuSb octahedra,  a cornercorner with one O(3)Li3Sb2 square pyramid, corners with two equivalent O(2)Li2Cu3Sb square pyramids, corners with two equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with two equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra,  an edgeedge with one O(2)Li2Cu3Sb square pyramid,  an edgeedge with one O(3)Li3Sb2 square pyramid, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-85°. 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)Li4CuSb octahedra, corners with two equivalent O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with three equivalent O(1)Li2Cu2Sb trigonal bipyramids, edges with three equivalent O(5)Li4CuSb octahedra, edges with three equivalent O(2)Li2Cu3Sb square pyramids, edges with three equivalent O(3)Li3Sb2 square pyramids, and  an edgeedge with one O(1)Li2Cu2Sb trigonal bipyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Sb(1) atom to form OLi4CuSb octahedra that share  a cornercorner with one O(4)Li3Cu2Sb octahedra,  a cornercorner with one O(5)Li4CuSb octahedra,  a cornercorner with one O(2)Li2Cu3Sb square pyramid, corners with three equivalent O(3)Li3Sb2 square pyramids, corners with two equivalent O(1)Li2Cu2Sb trigonal bipyramids,  an edgeedge with one O(5)Li4CuSb octahedra, edges with three equivalent O(4)Li3Cu2Sb octahedra, edges with two equivalent O(2)Li2Cu3Sb square pyramids, edges with two equivalent O(3)Li3Sb2 square pyramids, and edges with two equivalent O(1)Li2Cu2Sb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-5°.