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DOE OSTI · 1275056

Materials Data on La5Sn3Br by Materials Project

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Abstract

La5Sn3Br crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent Br atoms. There are a spread of La–Sn bond distances ranging from 3.33–3.69 Å. Both La–Br bond lengths are 3.14 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.49 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. Br is bonded to six equivalent La atoms to form face-sharing BrLa6 octahedra.

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36 MATERIALS SCIENCEBr-La-Sncrystal structureLa5Sn3Br

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2020-07-15. Materials Data on La5Sn3Br by Materials Project. https://doi.org/10.17188/1275056

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