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Title: Materials Data on Cs3Sb by Materials Project

Abstract

Cs3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to four equivalent Cs1+ and four equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing CsCs4Sb4 tetrahedra. All Cs–Cs bond lengths are 4.05 Å. All Cs–Sb bond lengths are 4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-10378
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; Cs3Sb; Cs-Sb
OSTI Identifier:
1187052
DOI:
https://doi.org/10.17188/1187052

Citation Formats

The Materials Project. Materials Data on Cs3Sb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187052.
The Materials Project. Materials Data on Cs3Sb by Materials Project. United States. doi:https://doi.org/10.17188/1187052
The Materials Project. 2020. "Materials Data on Cs3Sb by Materials Project". United States. doi:https://doi.org/10.17188/1187052. https://www.osti.gov/servlets/purl/1187052. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187052,
title = {Materials Data on Cs3Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to four equivalent Cs1+ and four equivalent Sb3- atoms to form a mixture of distorted corner, edge, and face-sharing CsCs4Sb4 tetrahedra. All Cs–Cs bond lengths are 4.05 Å. All Cs–Sb bond lengths are 4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms.},
doi = {10.17188/1187052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}