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Title: Materials Data on Cs2LiNF6 by Materials Project

Abstract

Cs2LiNF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent NF6 octahedra. All Cs–F bond lengths are 3.03 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.39 Å. N3+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.88 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one N3+ atom.

Publication Date:
Other Number(s):
mp-989536
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; Cs2LiNF6; Cs-F-Li-N
OSTI Identifier:
1316835
DOI:
https://doi.org/10.17188/1316835

Citation Formats

The Materials Project. Materials Data on Cs2LiNF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316835.
The Materials Project. Materials Data on Cs2LiNF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316835
The Materials Project. 2020. "Materials Data on Cs2LiNF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316835. https://www.osti.gov/servlets/purl/1316835. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316835,
title = {Materials Data on Cs2LiNF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2LiNF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent NF6 octahedra. All Cs–F bond lengths are 3.03 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent NF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.39 Å. N3+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.88 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one N3+ atom.},
doi = {10.17188/1316835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}