Materials Data on SrIn3Au by Materials Project

Abstract

SrAuIn3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two SrAuIn3 sheets oriented in the (0, 0, 1) direction. Sr is bonded in a 12-coordinate geometry to four equivalent Au and eight In atoms. All Sr–Au bond lengths are 3.47 Å. There are four shorter (3.56 Å) and four longer (3.79 Å) Sr–In bond lengths. Au is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.73 Å) and four longer (2.89 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted water-like geometry to two equivalent Sr and two equivalent Au atoms. In the second In site, In is bonded in a distorted single-bond geometry to four equivalent Sr and one Au atom.