Materials Data on InCuGeS4 by Materials Project

Abstract

CuInGeS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with four equivalent GeS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent GeS4 tetrahedra. All In–S bond lengths are 2.51 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with four equivalent InS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. S2- is bonded in a trigonal non-coplanar geometry to one Cu1+, one In3+, and one Ge4+ atom.