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DOE OSTI · 1265077

Materials Data on CdH4Br3N by Materials Project

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Abstract

CdBr3NH4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four ammonium molecules and two CdBr3 ribbons oriented in the (1, 0, 0) direction. In each CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form edge-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.68–2.95 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a water-like geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Cd2+ atom. In the third Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.

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36 MATERIALS SCIENCEBr-Cd-H-NCdH4Br3Ncrystal structure

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2020-07-18. Materials Data on CdH4Br3N by Materials Project. https://doi.org/10.17188/1265077

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