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Materials Data on Sr2Al3In by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on SrAlIn by Materials Project

SrInAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to six equivalent In and six equivalent Al atoms. There are a spread of Sr–In bond distances ranging from 3.38–3.72 Å. There are a spread of Sr–Al bond distances ranging from 3.37–3.62 Å. In is bonded in a 10-coordinate geometry to six equivalent Sr, one In, and three equivalent Al atoms. The In–In bond length is 3.05 Å. There are two shorter (2.90 Å) and one longer (2.99 Å) In–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Sr, three equivalent In, and one Al atom. The Al–Al bond length is 2.70 Å.

36 MATERIALS SCIENCE↗

Materials Data on Sr2AlIn3 by Materials Project

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.

36 MATERIALS SCIENCE↗