Materials Data on Ag8S by Materials Project

Abstract

Ag8S crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ag sites. In the first Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 3.21–3.26 Å. In the second Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. There are two shorter (3.23 Å) and two longer (3.26 Å) Ag–Ag bond lengths. The Ag–S bond length is 2.30 Å. In the third Ag site, Ag is bonded to twelve Ag atoms to form AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra, edges with twelve AgAg12 cuboctahedra, edges with three equivalent SAg4 tetrahedra, and faces with six AgAg12 cuboctahedra. There are two shorter (3.22 Å) and two longer (3.25 Å) Ag–Ag bond lengths. In the fourth Ag site, Ag is bonded in a single-bond geometry to six Ag and one S atom. The Ag–S bond length is 2.31 Å. S is bonded to four Ag atoms to form SAg4 tetrahedra that share edges with twelve AgAg12 cuboctahedra.