Materials Data on K2TaAgS4 by Materials Project

Abstract

K2TaAgS4 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of K–S bond distances ranging from 3.39–3.80 Å. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share edges with two equivalent AgS4 tetrahedra. All Ta–S bond lengths are 2.30 Å. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share edges with two equivalent TaS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. S2- is bonded in a 1-coordinate geometry to four equivalent K1+, one Ta5+, and one Ag1+ atom.