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Title: Materials Data on Rb2GaAuCl6 by Materials Project

Abstract

Rb2AuGaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.64 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.72 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Au1+, and one Ga3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1111038
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2GaAuCl6; Au-Cl-Ga-Rb
OSTI Identifier:
1731869
DOI:
https://doi.org/10.17188/1731869

Citation Formats

The Materials Project. Materials Data on Rb2GaAuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731869.
The Materials Project. Materials Data on Rb2GaAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1731869
The Materials Project. 2020. "Materials Data on Rb2GaAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1731869. https://www.osti.gov/servlets/purl/1731869. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1731869,
title = {Materials Data on Rb2GaAuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2AuGaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All Rb–Cl bond lengths are 3.64 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.72 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.43 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Au1+, and one Ga3+ atom.},
doi = {10.17188/1731869},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}