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DOE OSTI · 1707411

Materials Data on AlInBr4 by Materials Project

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Abstract

InAlBr4 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one InAlBr4 sheet oriented in the (0, 1, 0) direction. there are two inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of In–Br bond distances ranging from 3.39–3.55 Å. In the second In1+ site, In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.48 Å. Al3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Al–Br bond distances ranging from 2.31–2.35 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to one In1+ and one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to two In1+ and one Al3+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one In1+ and one Al3+ atom.

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36 MATERIALS SCIENCEAl-Br-InAlInBr4crystal structure

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2020-04-29. Materials Data on AlInBr4 by Materials Project. https://doi.org/10.17188/1707411

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