Title: Materials Data on SrCrF6 by Materials Project

Abstract

SrCrF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.70 Å) and six longer (2.80 Å) Sr–F bond lengths. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Cr4+ atom.

Publication Date:
Other Number(s):
mp-554332
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Cr-F-Sr; crystal structure; SrCrF6
OSTI Identifier:
1267854
DOI:
https://doi.org/10.17188/1267854

Citation Formats

Materials Data on SrCrF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267854.
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Materials Data on SrCrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1267854
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2020. "Materials Data on SrCrF6 by Materials Project". United States. doi:https://doi.org/10.17188/1267854. https://www.osti.gov/servlets/purl/1267854. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1267854,
title = {Materials Data on SrCrF6 by Materials Project},
abstractNote = {SrCrF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent F1- atoms to form SrF12 cuboctahedra that share corners with six equivalent CrF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.70 Å) and six longer (2.80 Å) Sr–F bond lengths. Cr4+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Cr–F bond lengths are 1.86 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Cr4+ atom.},
doi = {10.17188/1267854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1267854
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