Materials Data on Sr2AlIn3 by Materials Project

Abstract

Sr2In3Al crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to nine In and three equivalent Al atoms. There are a spread of Sr–In bond distances ranging from 3.32–3.77 Å. All Sr–Al bond lengths are 3.30 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to nine In and three equivalent Al atoms. There are a spread of Sr–In bond distances ranging from 3.33–3.79 Å. All Sr–Al bond lengths are 3.74 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Sr, one In, and three equivalent Al atoms. The In–In bond length is 3.34 Å. All In–Al bond lengths are 2.98 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Sr and four In atoms. All In–In bond lengths are 3.00 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Sr, three equivalent In, and one Al atom. The In–Al bond length is 3.21 Å. Al is bonded in a 10-coordinate geometry to six Sr and four In atoms.