CuAlSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Al(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Al(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Al(1), and one Sn(1) atom.
CuAlSnS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Al(1)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Both Cu(1)-S(1) bond lengths are 2.31 Å. Both Cu(1)-S(2) bond lengths are 2.34 Å. Al(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form AlS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Al(1)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Both Al(1)-S(1) bond lengths are 2.45 Å. All Al(1)-S(2) bond lengths are 2.46 Å. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. Both Sn(1)-S(2) bond lengths are 2.58 Å. All Sn(1)-S(1) bond lengths are 2.58 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Al(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cu(1), two equivalent Al(1), and one Sn(1) atom.