Li4Nb3Cu3(SnO8)2 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 Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. 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 Nb(2)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-72°. 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 Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-71°. 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 Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(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 46°. In the second Nb site, Nb(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 NbO6 octahedra that share corners with two equivalent Sn(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 Sn(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. 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 distorted CuO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, edges with two equivalent Nb(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 55-58°. 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 Sn(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 Sn(2)O6 octahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(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 Sn site, Sn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted SnO6 octahedra that share corners with two equivalent Nb(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 Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. 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 Nb(2), one Cu(2), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiCu2Sn tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(1), and two equivalent Cu(1) atoms to form distorted OLiNbCu2 tetrahedra that share corners with two equivalent O(9)LiNbCuSn tetrahedra, corners with three equivalent O(4)LiNbCu2 tetrahedra, and  an edgeedge with one O(2)LiCu2Sn tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Cu(1) atoms to form OLiNbCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Sn tetrahedra and corners with three equivalent O(3)LiNbCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Cu(2) atom to form corner-sharing OLiNb2Cu tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Cu(1), and one Sn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Nb(2), and one Sn(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Cu(2), and one Sn(2) atom to form distorted OLiNbCuSn tetrahedra that share  a cornercorner with one O(3)LiNbCu2 tetrahedra,  a cornercorner with one O(9)LiNbCuSn tetrahedra, corners with two equivalent O(5)LiNb2Cu tetrahedra, and  an edgeedge with one O(9)LiNbCuSn tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Cu(1), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Nb(2), and one Sn(2) atom.
Li4Nb3Cu3(SnO8)2 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 Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra, and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-67°. The Li(1)-O(12) bond length is 2.28 Å. The Li(1)-O(3) bond length is 1.99 Å. Both Li(1)-O(9) bond lengths are 2.05 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 Nb(2)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-72°. The Li(2)-O(5) bond length is 1.90 Å. The Li(2)-O(7) bond length is 1.91 Å. Both Li(2)-O(11) bond lengths are 2.07 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 Nb(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-71°. The Li(3)-O(4) bond length is 1.86 Å. The Li(3)-O(8) bond length is 2.39 Å. Both Li(3)-O(1) bond lengths are 2.01 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 Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-67°. The Li(4)-O(10) bond length is 2.11 Å. The Li(4)-O(2) bond length is 1.99 Å. Both Li(4)-O(6) bond lengths are 1.98 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(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 46°. The Nb(1)-O(3) bond length is 2.06 Å. The Nb(1)-O(4) bond length is 2.02 Å. Both Nb(1)-O(11) bond lengths are 2.04 Å. Both Nb(1)-O(6) bond lengths are 2.03 Å. In the second Nb site, Nb(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 NbO6 octahedra that share corners with two equivalent Sn(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 Sn(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-51°. The Nb(2)-O(1) bond length is 2.05 Å. The Nb(2)-O(10) bond length is 2.01 Å. The Nb(2)-O(12) bond length is 2.08 Å. The Nb(2)-O(5) bond length is 2.02 Å. The Nb(2)-O(8) bond length is 2.05 Å. The Nb(2)-O(9) bond length is 1.99 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 Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, edges with two equivalent Nb(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 55-58°. The Cu(1)-O(11) bond length is 2.40 Å. The Cu(1)-O(2) bond length is 2.03 Å. The Cu(1)-O(3) bond length is 1.99 Å. The Cu(1)-O(4) bond length is 2.00 Å. The Cu(1)-O(6) bond length is 2.48 Å. The Cu(1)-O(7) bond length is 2.03 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 Sn(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 Sn(2)O6 octahedra, edges with four equivalent Nb(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 55°. The Cu(2)-O(10) bond length is 2.23 Å. The Cu(2)-O(5) bond length is 2.18 Å. Both Cu(2)-O(1) bond lengths are 2.29 Å. Both Cu(2)-O(9) bond lengths are 2.19 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form SnO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Sn(1)-O(2) bond length is 2.07 Å. The Sn(1)-O(8) bond length is 2.43 Å. Both Sn(1)-O(1) bond lengths are 2.09 Å. Both Sn(1)-O(6) bond lengths are 2.10 Å. In the second Sn site, Sn(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form distorted SnO6 octahedra that share corners with two equivalent Nb(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 Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-58°. The Sn(2)-O(12) bond length is 2.36 Å. The Sn(2)-O(7) bond length is 2.01 Å. Both Sn(2)-O(11) bond lengths are 2.05 Å. Both Sn(2)-O(9) bond lengths are 2.17 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 Nb(2), one Cu(2), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OLiCu2Sn tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Nb(1), and two equivalent Cu(1) atoms to form distorted OLiNbCu2 tetrahedra that share corners with two equivalent O(9)LiNbCuSn tetrahedra, corners with three equivalent O(4)LiNbCu2 tetrahedra, and  an edgeedge with one O(2)LiCu2Sn tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), and two equivalent Cu(1) atoms to form OLiNbCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Sn tetrahedra and corners with three equivalent O(3)LiNbCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Nb(2), and one Cu(2) atom to form corner-sharing OLiNb2Cu tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Cu(1), and one Sn(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Nb(2), and one Sn(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Nb(2), one Cu(2), and one Sn(2) atom to form distorted OLiNbCuSn tetrahedra that share  a cornercorner with one O(3)LiNbCu2 tetrahedra,  a cornercorner with one O(9)LiNbCuSn tetrahedra, corners with two equivalent O(5)LiNb2Cu tetrahedra, and  an edgeedge with one O(9)LiNbCuSn tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Nb(2), and one Cu(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Nb(1), one Cu(1), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Nb(2), and one Sn(2) atom.