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Title: Materials Data on MgCrF6 by Materials Project

Abstract

MgCrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Cr4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554955
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; MgCrF6; Cr-F-Mg
OSTI Identifier:
1268277
DOI:
10.17188/1268277

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgCrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268277.
Persson, Kristin, & Project, Materials. Materials Data on MgCrF6 by Materials Project. United States. doi:10.17188/1268277.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgCrF6 by Materials Project". United States. doi:10.17188/1268277. https://www.osti.gov/servlets/purl/1268277. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1268277,
title = {Materials Data on MgCrF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgCrF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Mg–F bond lengths are 2.01 Å. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 27°. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Cr4+ atom.},
doi = {10.17188/1268277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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