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Title: 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.

Publication Date:
Other Number(s):
mp-555718
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; SrNiF6; F-Ni-Sr
OSTI Identifier:
1268950
DOI:
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:10.17188/1268950.
The Materials Project. 2020. "Materials Data on SrNiF6 by Materials Project". United States. doi: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}
}

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