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Title: Materials Data on CaFeF6 by Materials Project

Abstract

CaFeF6 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 FeF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Ca–F bond lengths are 2.27 Å. Fe is bonded to six equivalent F atoms to form FeF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Fe–F bond lengths are 1.88 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Fe atom.

Authors:
Publication Date:
Other Number(s):
mvc-15840
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; CaFeF6; Ca-F-Fe
OSTI Identifier:
1339679
DOI:
https://doi.org/10.17188/1339679

Citation Formats

The Materials Project. Materials Data on CaFeF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1339679.
The Materials Project. Materials Data on CaFeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1339679
The Materials Project. 2020. "Materials Data on CaFeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1339679. https://www.osti.gov/servlets/purl/1339679. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1339679,
title = {Materials Data on CaFeF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaFeF6 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 FeF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Ca–F bond lengths are 2.27 Å. Fe is bonded to six equivalent F atoms to form FeF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Fe–F bond lengths are 1.88 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Fe atom.},
doi = {10.17188/1339679},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}