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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.

Publication Date:
Other Number(s):
mp-541753
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Br-Cs-W; Cs2WBr6; crystal structure
OSTI Identifier:
1266054
DOI:
https://doi.org/10.17188/1266054

Citation Formats

Materials Data on Cs2WBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266054.
Materials Data on Cs2WBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1266054
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},
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}
}