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DOE OSTI · 1203041

Materials Data on In7Br9 by Materials Project

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Abstract

In7Br9 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent In+1.29+ sites. In the first In+1.29+ site, In+1.29+ is bonded in a 4-coordinate geometry to four Br1- atoms. There are a spread of In–Br bond distances ranging from 3.08–3.38 Å. In the second In+1.29+ site, In+1.29+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.73 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent In+1.29+ atoms. In the second Br1- site, Br1- is bonded in an octahedral geometry to six equivalent In+1.29+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three In+1.29+ atoms.

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36 MATERIALS SCIENCEBr-Incrystal structureIn7Br9

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2020-05-28. Materials Data on In7Br9 by Materials Project. https://doi.org/10.17188/1203041

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