Materials Data on KCu2GeS4 by Materials Project

Abstract

KCu2GeS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.98 Å) and four longer (3.44 Å) K–S bond lengths. Cu+1.50+ is bonded to four equivalent S2- atoms to form distorted CuS4 trigonal pyramids that share corners with four equivalent GeS4 tetrahedra and corners with four equivalent CuS4 trigonal pyramids. All Cu–S bond lengths are 2.39 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with eight equivalent CuS4 trigonal pyramids. All Ge–S bond lengths are 2.24 Å. S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Cu+1.50+, and one Ge4+ atom.