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DOE OSTI · 1205106

Materials Data on Zn11Ir2 by Materials Project

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Abstract

Ir2Zn11 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ir is bonded in a distorted q6 geometry to twelve Zn atoms. There are a spread of Ir–Zn bond distances ranging from 2.61–2.80 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–3.02 Å. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Ir and eleven Zn atoms. There are one shorter (2.62 Å) and two longer (2.68 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 3-coordinate geometry to three equivalent Ir and nine Zn atoms. All Zn–Zn bond lengths are 2.72 Å.

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36 MATERIALS SCIENCEcrystal structureIr-ZnZn11Ir2

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2020-07-24. Materials Data on Zn11Ir2 by Materials Project. https://doi.org/10.17188/1205106

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