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DOE OSTI · 1747782

Materials Data on Sn3Sb by Materials Project

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Abstract

Sn3Sb is beta Sn-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six Sn atoms to form distorted corner-sharing SnSn6 pentagonal pyramids. There are four shorter (3.10 Å) and two longer (3.19 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to four Sn and two equivalent Sb atoms. Both Sn–Sn bond lengths are 3.19 Å. Both Sn–Sb bond lengths are 3.12 Å. Sb is bonded in a 6-coordinate geometry to four equivalent Sn and two equivalent Sb atoms. Both Sb–Sb bond lengths are 3.19 Å.

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36 MATERIALS SCIENCEcrystal structureSb-SnSn3Sb

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2020-05-02. Materials Data on Sn3Sb by Materials Project. https://doi.org/10.17188/1747782

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