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Title: Materials Data on RbAuBr4 by Materials Project

Abstract

RbAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.67–3.87 Å. Au3+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-30996
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; RbAuBr4; Au-Br-Rb
OSTI Identifier:
1205328
DOI:
10.17188/1205328

Citation Formats

The Materials Project. Materials Data on RbAuBr4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205328.
The Materials Project. Materials Data on RbAuBr4 by Materials Project. United States. doi:10.17188/1205328.
The Materials Project. 2020. "Materials Data on RbAuBr4 by Materials Project". United States. doi:10.17188/1205328. https://www.osti.gov/servlets/purl/1205328. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1205328,
title = {Materials Data on RbAuBr4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAuBr4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.67–3.87 Å. Au3+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.47 Å) and two longer (2.48 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing BrRb3Au tetrahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one Au3+ atom.},
doi = {10.17188/1205328},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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