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DOE OSTI2020

Materials Data on SrIn5 by Materials Project

SrIn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr is bonded in a hexagonal planar geometry to six equivalent In atoms. All Sr–In bond lengths are 3.70 Å. There are two inequivalent In sites. In the first In site, In is bonded to eight In atoms to form a mixture of distorted corner, edge, and face-sharing InIn8 cuboctahedra. There are four shorter (3.18 Å) and four longer (3.20 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent In atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Sr5In3 by Materials Project

Sr5In3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to five In atoms to form a mixture of distorted corner, edge, and face-sharing SrIn5 trigonal bipyramids. There are a spread of Sr–In bond distances ranging from 3.55–3.68 Å. In the second Sr site, Sr is bonded in a square co-planar geometry to four equivalent In atoms. All Sr–In bond lengths are 3.54 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Sr and one In atom. The In–In bond length is 2.90 Å. In the second In site, In is bonded in a 8-coordinate geometry to eight equivalent Sr atoms.

36 MATERIALS SCIENCE↗