Materials Data on Cs2Ti(AgS2)2 by Materials Project

Abstract

Cs2Ti(AgS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.62 Å) and four longer (3.84 Å) Cs–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent AgS4 tetrahedra. All Ti–S bond lengths are 2.31 Å. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Ag–S bond lengths are 2.59 Å. S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Ti4+, and two equivalent Ag1+ atoms.