skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbAuBr3 by Materials Project

Abstract

RbAuBr3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–3.89 Å. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.51 Å. In the second Au2+ site, Au2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are two shorter (2.45 Å) and four longer (3.23 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and two Au2+ atoms to form a mixture of distorted corner, edge, and face-sharing BrRb3Au2 square pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and one Au2+ atom.

Publication Date:
Other Number(s):
mp-27300
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; RbAuBr3; Au-Br-Rb
OSTI Identifier:
1201498
DOI:
https://doi.org/10.17188/1201498

Citation Formats

The Materials Project. Materials Data on RbAuBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201498.
The Materials Project. Materials Data on RbAuBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1201498
The Materials Project. 2020. "Materials Data on RbAuBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1201498. https://www.osti.gov/servlets/purl/1201498. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1201498,
title = {Materials Data on RbAuBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAuBr3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.52–3.89 Å. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Au–Br bond lengths are 2.51 Å. In the second Au2+ site, Au2+ is bonded in a distorted octahedral geometry to six Br1- atoms. There are two shorter (2.45 Å) and four longer (3.23 Å) Au–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to three equivalent Rb1+ and two Au2+ atoms to form a mixture of distorted corner, edge, and face-sharing BrRb3Au2 square pyramids. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and one Au2+ atom.},
doi = {10.17188/1201498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}