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DOE OSTI · 1202867

Materials Data on ThSnI6 by Materials Project

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Abstract

ThSnI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent SnI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Th–I bond lengths are 3.08 Å. Sn2+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sn–I bond lengths are 3.22 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Th4+ and one Sn2+ atom.

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36 MATERIALS SCIENCEcrystal structureI-Sn-ThThSnI6

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2020-07-23. Materials Data on ThSnI6 by Materials Project. https://doi.org/10.17188/1202867

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