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Title: Materials Data on BiF3 by Materials Project

Abstract

BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.50 Å) and six longer (2.88 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FBi4F4 tetrahedra. All F–F bond lengths are 2.50 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Bi3+ and eight equivalent F1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-23301
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; BiF3; Bi-F
OSTI Identifier:
1199408
DOI:
https://doi.org/10.17188/1199408

Citation Formats

The Materials Project. Materials Data on BiF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199408.
The Materials Project. Materials Data on BiF3 by Materials Project. United States. doi:https://doi.org/10.17188/1199408
The Materials Project. 2020. "Materials Data on BiF3 by Materials Project". United States. doi:https://doi.org/10.17188/1199408. https://www.osti.gov/servlets/purl/1199408. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199408,
title = {Materials Data on BiF3 by Materials Project},
author = {The Materials Project},
abstractNote = {BiF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Bi3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.50 Å) and six longer (2.88 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Bi3+ and four equivalent F1- atoms to form a mixture of face, edge, and corner-sharing FBi4F4 tetrahedra. All F–F bond lengths are 2.50 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Bi3+ and eight equivalent F1- atoms.},
doi = {10.17188/1199408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}