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Title: Materials Data on CaBiF6 by Materials Project

Abstract

CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.

Publication Date:
Other Number(s):
mvc-13472
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CaBiF6; Bi-Ca-F
OSTI Identifier:
1318897
DOI:
https://doi.org/10.17188/1318897

Citation Formats

The Materials Project. Materials Data on CaBiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318897.
The Materials Project. Materials Data on CaBiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1318897
The Materials Project. 2020. "Materials Data on CaBiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1318897. https://www.osti.gov/servlets/purl/1318897. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318897,
title = {Materials Data on CaBiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.},
doi = {10.17188/1318897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}