Materials Data on Sr2Al3In by Materials Project

Abstract

Sr2InAl3 crystallizes in the monoclinic Cm 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 three equivalent In and nine Al atoms. There are one shorter (3.49 Å) and two longer (3.61 Å) Sr–In bond lengths. There are a spread of Sr–Al bond distances ranging from 3.29–3.60 Å. In the second Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent In and nine Al atoms. There are two shorter (3.32 Å) and one longer (3.42 Å) Sr–In bond lengths. There are a spread of Sr–Al bond distances ranging from 3.35–3.71 Å. In is bonded in a 10-coordinate geometry to six Sr and four Al atoms. There are a spread of In–Al bond distances ranging from 2.88–3.00 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to six Sr, one In, and three Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to six Sr, two equivalent In, and two Al atoms. The Al–Al bond length is 2.74 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to six Sr, one In, and three Al atoms.