ZnIn2Se4 crystallizes in the tetragonal I-42m space group. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with eight equivalent In(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1) and two equivalent In(1) atoms.
ZnIn2Se4 crystallizes in the tetragonal I-42m space group. Zn(1) is bonded to four equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with eight equivalent In(1)Se4 tetrahedra. All Zn(1)-Se(1) bond lengths are 2.47 Å. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Zn(1)Se4 tetrahedra and corners with four equivalent In(1)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.61 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one Zn(1) and two equivalent In(1) atoms.