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DOE OSTI · 1720762

Materials Data on LuZnSn by Materials Project

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Abstract

LuZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Lu–Zn bond lengths are 2.96 Å. All Lu–Sn bond lengths are 3.35 Å. In the second Lu site, Lu is bonded to six equivalent Zn and six equivalent Sn atoms to form distorted face-sharing LuZn6Sn6 octahedra. All Lu–Zn bond lengths are 3.53 Å. All Lu–Sn bond lengths are 3.10 Å. Zn is bonded in a 10-coordinate geometry to six Lu, one Zn, and three equivalent Sn atoms. The Zn–Zn bond length is 2.81 Å. All Zn–Sn bond lengths are 2.69 Å. Sn is bonded in a 9-coordinate geometry to six Lu and three equivalent Zn atoms.

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36 MATERIALS SCIENCEcrystal structureLu-Sn-ZnLuZnSn

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2020-05-03. Materials Data on LuZnSn by Materials Project. https://doi.org/10.17188/1720762

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