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DOE OSTI · 1192840

Materials Data on SrZn11 by Materials Project

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Abstract

SrZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.34–3.46 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.83 Å. In the second Zn site, Zn is bonded to two equivalent Sr and ten Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnSr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.64–2.98 Å. In the third Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Sr and twelve Zn atoms.

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36 MATERIALS SCIENCEcrystal structureSr-ZnSrZn11

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2020-07-15. Materials Data on SrZn11 by Materials Project. https://doi.org/10.17188/1192840

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