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DOE OSTI · 1273863

Materials Data on SrLa6OsI12 by Materials Project

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Abstract

SrLa6OsI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share edges with six equivalent LaOsI5 octahedra. All Sr–I bond lengths are 3.29 Å. La2+ is bonded to one Os2- and five I1- atoms to form LaOsI5 octahedra that share corners with three equivalent LaOsI5 octahedra, an edgeedge with one SrI6 octahedra, and edges with five equivalent LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The La–Os bond length is 2.88 Å. There are a spread of La–I bond distances ranging from 3.25–3.52 Å. Os2- is bonded in an octahedral geometry to six equivalent La2+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent La2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent La2+ atoms.

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36 MATERIALS SCIENCEcrystal structureI-La-Os-SrSrLa6OsI12

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2020-07-23. Materials Data on SrLa6OsI12 by Materials Project. https://doi.org/10.17188/1273863

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