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DOE OSTI · 1289975

Materials Data on SrLaI5 by Materials Project

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Abstract

SrLaI5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form distorted edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.27–3.76 Å. La3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of La–I bond distances ranging from 3.28–3.53 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms. In the third I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ atoms. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to one Sr2+ and two equivalent La3+ atoms. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one La3+ atom.

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36 MATERIALS SCIENCEcrystal structureI-La-SrSrLaI5

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2020-07-14. Materials Data on SrLaI5 by Materials Project. https://doi.org/10.17188/1289975

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