skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2NiF6 by Materials Project

Abstract

Cs2NiF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent NiF6 octahedra. All Cs–F bond lengths are 3.23 Å. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Ni–F bond lengths are 1.81 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ni4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-689925
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; Cs2NiF6; Cs-F-Ni
OSTI Identifier:
1284446
DOI:
10.17188/1284446

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2NiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284446.
Persson, Kristin, & Project, Materials. Materials Data on Cs2NiF6 by Materials Project. United States. doi:10.17188/1284446.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2NiF6 by Materials Project". United States. doi:10.17188/1284446. https://www.osti.gov/servlets/purl/1284446. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1284446,
title = {Materials Data on Cs2NiF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2NiF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent NiF6 octahedra. All Cs–F bond lengths are 3.23 Å. Ni4+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Ni–F bond lengths are 1.81 Å. F1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Ni4+ atom.},
doi = {10.17188/1284446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: