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DOE OSTI · 1205227

Materials Data on Th5Sn4 by Materials Project

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Abstract

Th5Sn4 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to seven Sn atoms to form a mixture of distorted corner, edge, and face-sharing ThSn7 pentagonal bipyramids. There are a spread of Th–Sn bond distances ranging from 3.17–3.44 Å. In the second Th site, Th is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Th–Sn bond lengths are 3.45 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Th atoms. In the second Sn site, Sn is bonded to six equivalent Th atoms to form distorted face-sharing SnTh6 octahedra.

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36 MATERIALS SCIENCEcrystal structureSn-ThTh5Sn4

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2020-07-15. Materials Data on Th5Sn4 by Materials Project. https://doi.org/10.17188/1205227

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