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Title: Materials Data on Cs2WBr6 by Materials Project

Abstract

Cs2WBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent WBr6 octahedra. All Cs–Br bond lengths are 3.94 Å. W4+ is bonded to six equivalent Br1- atoms to form WBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All W–Br bond lengths are 2.56 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-541753
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; Cs2WBr6; Br-Cs-W
OSTI Identifier:
1266054
DOI:
https://doi.org/10.17188/1266054

Citation Formats

The Materials Project. Materials Data on Cs2WBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266054.
The Materials Project. Materials Data on Cs2WBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1266054
The Materials Project. 2020. "Materials Data on Cs2WBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1266054. https://www.osti.gov/servlets/purl/1266054. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266054,
title = {Materials Data on Cs2WBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2WBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent WBr6 octahedra. All Cs–Br bond lengths are 3.94 Å. W4+ is bonded to six equivalent Br1- atoms to form WBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All W–Br bond lengths are 2.56 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W4+ atom.},
doi = {10.17188/1266054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}