CuInSnSe4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one In(1), and one Sn(1) atom.
CuInSnSe4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.44 Å. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent Sn(1)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.65 Å. Sn(1) is bonded to four equivalent Se(1) atoms to form SnSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. All Sn(1)-Se(1) bond lengths are 2.60 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one In(1), and one Sn(1) atom.