Materials Data on Sr(AlS2)2 by Materials Project

Abstract

SrAl2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.15 Å) and four longer (3.19 Å) Sr–S bond lengths. Al3+ is bonded to four S2- atoms to form edge-sharing AlS4 tetrahedra. There are a spread of Al–S bond distances ranging from 2.26–2.30 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Al3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sr2+ and two equivalent Al3+ atoms to form a mixture of distorted corner and edge-sharing SSr2Al2 trigonal pyramids.