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DOE OSTI · 1262382

Materials Data on CdInBr3 by Materials Project

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Abstract

InCdBr3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two InCdBr3 ribbons oriented in the (1, 0, 0) direction. Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.72–2.88 Å. In1+ is bonded in a 2-coordinate geometry to two equivalent Br1- atoms. Both In–Br bond lengths are 3.39 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a distorted single-bond geometry to one Cd2+ and two equivalent In1+ atoms. In the third Br1- site, Br1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

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36 MATERIALS SCIENCEBr-Cd-InCdInBr3crystal structure

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2020-07-24. Materials Data on CdInBr3 by Materials Project. https://doi.org/10.17188/1262382

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