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Title: Materials Data on CsK2NbF6 by Materials Project

Abstract

CsK2NbF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.77 Å. K1+ is bonded in a 12-coordinate geometry to twelve equivalent F1- atoms. All K–F bond lengths are 3.47 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.10 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent K1+, and one Nb3+ atom.

Publication Date:
Other Number(s):
mp-1111974
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; CsK2NbF6; Cs-F-K-Nb
OSTI Identifier:
1651544
DOI:
https://doi.org/10.17188/1651544

Citation Formats

The Materials Project. Materials Data on CsK2NbF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651544.
The Materials Project. Materials Data on CsK2NbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1651544
The Materials Project. 2020. "Materials Data on CsK2NbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1651544. https://www.osti.gov/servlets/purl/1651544. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651544,
title = {Materials Data on CsK2NbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsK2NbF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent F1- atoms to form CsF6 octahedra that share corners with six equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–F bond lengths are 2.77 Å. K1+ is bonded in a 12-coordinate geometry to twelve equivalent F1- atoms. All K–F bond lengths are 3.47 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CsF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.10 Å. F1- is bonded in a distorted linear geometry to one Cs1+, four equivalent K1+, and one Nb3+ atom.},
doi = {10.17188/1651544},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}