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Title: Materials Data on NiF3 by Materials Project

Abstract

NiF3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.90 Å. In the second Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a bent 150 degrees geometry to two Ni3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-561428
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; NiF3; F-Ni
OSTI Identifier:
1272064
DOI:
https://doi.org/10.17188/1272064

Citation Formats

The Materials Project. Materials Data on NiF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272064.
The Materials Project. Materials Data on NiF3 by Materials Project. United States. doi:https://doi.org/10.17188/1272064
The Materials Project. 2020. "Materials Data on NiF3 by Materials Project". United States. doi:https://doi.org/10.17188/1272064. https://www.osti.gov/servlets/purl/1272064. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272064,
title = {Materials Data on NiF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NiF3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.90 Å. In the second Ni3+ site, Ni3+ is bonded to six equivalent F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a bent 150 degrees geometry to two Ni3+ atoms.},
doi = {10.17188/1272064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}