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DOE OSTI · 1276132

Materials Data on LaZn11 by Materials Project

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Abstract

LaZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of La–Zn bond distances ranging from 3.30–3.44 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent La and twelve Zn atoms. There are four shorter (2.81 Å) and eight longer (2.90 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to two equivalent La and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnLa2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.61–3.00 Å. In the third Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms.

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36 MATERIALS SCIENCEcrystal structureLa-ZnLaZn11

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2020-07-14. Materials Data on LaZn11 by Materials Project. https://doi.org/10.17188/1276132

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