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Title: Materials Data on KRb2AuCl6 by Materials Project

Abstract

Rb2KAuCl6 is (Cubic) Perovskite-derived structured and 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 KCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.89 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 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 K–Cl bond lengths are 2.98 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.52 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Au3+ atom.

Publication Date:
Other Number(s):
mp-1114398
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; KRb2AuCl6; Au-Cl-K-Rb
OSTI Identifier:
1744887
DOI:
https://doi.org/10.17188/1744887

Citation Formats

The Materials Project. Materials Data on KRb2AuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744887.
The Materials Project. Materials Data on KRb2AuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1744887
The Materials Project. 2020. "Materials Data on KRb2AuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1744887. https://www.osti.gov/servlets/purl/1744887. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744887,
title = {Materials Data on KRb2AuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2KAuCl6 is (Cubic) Perovskite-derived structured and 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 KCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Rb–Cl bond lengths are 3.89 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 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 K–Cl bond lengths are 2.98 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.52 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one K1+, and one Au3+ atom.},
doi = {10.17188/1744887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}