Materials Data on AlZnGaS4 by Materials Project

Abstract

ZnGaAlS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Ga–S bond lengths are 2.30 Å. Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Zn2+, one Ga3+, and one Al3+ atom.