Materials Data on SrNiF6 by Materials Project
Abstract
SrNiF6 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 NiF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (2.68 Å) and six longer (2.75 Å) Sr–F bond lengths. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Ni–F bond lengths are 1.80 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ni4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555718
- 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; SrNiF6; F-Ni-Sr
- OSTI Identifier:
- 1268950
- DOI:
- https://doi.org/10.17188/1268950
Citation Formats
The Materials Project. Materials Data on SrNiF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268950.
The Materials Project. Materials Data on SrNiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1268950
The Materials Project. 2020.
"Materials Data on SrNiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1268950. https://www.osti.gov/servlets/purl/1268950. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1268950,
title = {Materials Data on SrNiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {SrNiF6 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 NiF6 octahedra, edges with six equivalent SrF12 cuboctahedra, and faces with two equivalent NiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (2.68 Å) and six longer (2.75 Å) Sr–F bond lengths. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent SrF12 cuboctahedra and faces with two equivalent SrF12 cuboctahedra. All Ni–F bond lengths are 1.80 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one Ni4+ atom.},
doi = {10.17188/1268950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.