Materials Data on Sr(BS2)2 by Materials Project

Abstract

Sr(BS2)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are a spread of Sr–S bond distances ranging from 3.16–3.62 Å. In the second Sr2+ site, Sr2+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Sr–S bond lengths are 3.07 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Sr2+ and one B3+ atom. In the second S2- site, S2- is bonded in a bent 120 degrees geometry to one Sr2+ and two equivalent B3+ atoms.