Materials Data on Sr(AsS2)2 by Materials Project

Abstract

Sr(AsS2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.02–3.33 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of As–S bond distances ranging from 2.20–2.92 Å. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.33 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two As3+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one As3+ atom. In the third S2- site, S2- is bonded to two equivalent Sr2+ and two As3+ atoms to form distorted corner-sharing SSr2As2 trigonal pyramids. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to one Sr2+ and two As3+ atoms.