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DOE OSTI · 1273905

Materials Data on BaSn2 by Materials Project

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Abstract

BaSn2 is Caswellsilverite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba is bonded to six equivalent Sn atoms to form BaSn6 octahedra that share corners with six equivalent SnBa3Sn3 octahedra, edges with six equivalent BaSn6 octahedra, and edges with six equivalent SnBa3Sn3 octahedra. The corner-sharing octahedral tilt angles are 16°. All Ba–Sn bond lengths are 3.54 Å. Sn is bonded to three equivalent Ba and three equivalent Sn atoms to form distorted SnBa3Sn3 octahedra that share corners with three equivalent BaSn6 octahedra, corners with three equivalent SnBa3Sn3 octahedra, edges with three equivalent BaSn6 octahedra, and edges with nine equivalent SnBa3Sn3 octahedra. The corner-sharing octahedra tilt angles range from 0–16°. All Sn–Sn bond lengths are 2.99 Å.

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36 MATERIALS SCIENCEBa-SnBaSn2crystal structure

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2017-06-07. Materials Data on BaSn2 by Materials Project. https://doi.org/10.17188/1273905

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