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Title: Materials Data on Cs2LiAuCl6 by Materials Project

Abstract

Cs2LiAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.67 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.65 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.55 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Li1+, and one Au3+ atom.

Publication Date:
Other Number(s):
mp-1113026
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; Cs2LiAuCl6; Au-Cl-Cs-Li
OSTI Identifier:
1656116
DOI:
https://doi.org/10.17188/1656116

Citation Formats

The Materials Project. Materials Data on Cs2LiAuCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656116.
The Materials Project. Materials Data on Cs2LiAuCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1656116
The Materials Project. 2020. "Materials Data on Cs2LiAuCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1656116. https://www.osti.gov/servlets/purl/1656116. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1656116,
title = {Materials Data on Cs2LiAuCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2LiAuCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent AuCl6 octahedra. All Cs–Cl bond lengths are 3.67 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.65 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.55 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Cs1+, one Li1+, and one Au3+ atom.},
doi = {10.17188/1656116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}