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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-554332
- 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; SrCrF6; Cr-F-Sr
- OSTI Identifier:
- 1267854
- DOI:
- https://doi.org/10.17188/1267854
Citation Formats
The Materials Project. Materials Data on SrCrF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267854.
The Materials Project. Materials Data on SrCrF6 by Materials Project. United States. doi:https://doi.org/10.17188/1267854
The Materials Project. 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:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267854,
title = {Materials Data on SrCrF6 by Materials Project},
author = {The 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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