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Title: Materials Data on CrF5 by Materials Project

Abstract

CrF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr5+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There is two shorter (1.77 Å) and four longer (1.94 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 3.01 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 2.79 Å. In the third F1- site, F1- is bonded in a 10-coordinate geometry to ten F1- atoms. Both F–F bond lengths are 3.03 Å.

Authors:
Publication Date:
Other Number(s):
mvc-14314
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; CrF5; Cr-F
OSTI Identifier:
1319104
DOI:
https://doi.org/10.17188/1319104

Citation Formats

The Materials Project. Materials Data on CrF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319104.
The Materials Project. Materials Data on CrF5 by Materials Project. United States. doi:https://doi.org/10.17188/1319104
The Materials Project. 2020. "Materials Data on CrF5 by Materials Project". United States. doi:https://doi.org/10.17188/1319104. https://www.osti.gov/servlets/purl/1319104. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319104,
title = {Materials Data on CrF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CrF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr5+ is bonded to six F1- atoms to form edge-sharing CrF6 octahedra. There is two shorter (1.77 Å) and four longer (1.94 Å) Cr–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 3.01 Å. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ and two equivalent F1- atoms. Both F–F bond lengths are 2.79 Å. In the third F1- site, F1- is bonded in a 10-coordinate geometry to ten F1- atoms. Both F–F bond lengths are 3.03 Å.},
doi = {10.17188/1319104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}