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Title: Materials Data on Cs3Ni by Materials Project

Abstract

Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and four equivalent Ni atoms. There are four shorter (4.42 Å) and four longer (4.55 Å) Cs–Cs bond lengths. All Cs–Ni bond lengths are 4.42 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Cs atoms. Ni is bonded in a 8-coordinate geometry to eight equivalent Cs atoms.

Authors:
Publication Date:
Other Number(s):
mp-985605
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; Cs3Ni; Cs-Ni
OSTI Identifier:
1316736
DOI:
https://doi.org/10.17188/1316736

Citation Formats

The Materials Project. Materials Data on Cs3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316736.
The Materials Project. Materials Data on Cs3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1316736
The Materials Project. 2020. "Materials Data on Cs3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1316736. https://www.osti.gov/servlets/purl/1316736. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316736,
title = {Materials Data on Cs3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and four equivalent Ni atoms. There are four shorter (4.42 Å) and four longer (4.55 Å) Cs–Cs bond lengths. All Cs–Ni bond lengths are 4.42 Å. In the second Cs site, Cs is bonded in a 8-coordinate geometry to eight equivalent Cs atoms. Ni is bonded in a 8-coordinate geometry to eight equivalent Cs atoms.},
doi = {10.17188/1316736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}