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Title: Materials Data on Bi12Rh3Br2 by Materials Project

Abstract

(RhBi4)3(Br)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of sixteen hydrobromic acid molecules and one RhBi4 framework. In the RhBi4 framework, there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a body-centered cubic geometry to eight Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.87–2.95 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.87 Å) and four longer (2.88 Å) Rh–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted water-like geometry to two Rh atoms. In the second Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Rh atoms. In the third Bi site, Bi is bonded in a distorted water-like geometry to two Rh atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645514
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Bi12Rh3Br2; Bi-Br-Rh
OSTI Identifier:
1280552
DOI:
10.17188/1280552

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Bi12Rh3Br2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1280552.
Persson, Kristin, & Project, Materials. Materials Data on Bi12Rh3Br2 by Materials Project. United States. doi:10.17188/1280552.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Bi12Rh3Br2 by Materials Project". United States. doi:10.17188/1280552. https://www.osti.gov/servlets/purl/1280552. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1280552,
title = {Materials Data on Bi12Rh3Br2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(RhBi4)3(Br)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of sixteen hydrobromic acid molecules and one RhBi4 framework. In the RhBi4 framework, there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a body-centered cubic geometry to eight Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.87–2.95 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.87 Å) and four longer (2.88 Å) Rh–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted water-like geometry to two Rh atoms. In the second Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Rh atoms. In the third Bi site, Bi is bonded in a distorted water-like geometry to two Rh atoms.},
doi = {10.17188/1280552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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