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DOE OSTI · 1202796

Materials Data on In7Cl9 by Materials Project

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Abstract

In7Cl9 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 Cl1- atoms. There are a spread of In–Cl bond distances ranging from 2.91–3.26 Å. In the second In+1.29+ site, In+1.29+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All In–Cl bond lengths are 2.57 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent In+1.29+ atoms. In the second Cl1- site, Cl1- is bonded in an octahedral geometry to six equivalent In+1.29+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three In+1.29+ atoms.

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36 MATERIALS SCIENCECl-Incrystal structureIn7Cl9

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2020-04-30. Materials Data on In7Cl9 by Materials Project. https://doi.org/10.17188/1202796

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36 MATERIALS SCIENCE↗