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Title: Materials Data on LiCaF3 by Materials Project

Abstract

CaLiF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.88 Å. Ca2+ is bonded to twelve equivalent F1- atoms to form CaF12 cuboctahedra that share corners with twelve equivalent CaF12 cuboctahedra, faces with six equivalent CaF12 cuboctahedra, and faces with eight equivalent LiF6 octahedra. All Ca–F bond lengths are 2.66 Å. F1- is bonded in a distorted linear geometry to two equivalent Li1+ and four equivalent Ca2+ atoms.

Publication Date:
Other Number(s):
mp-1017626
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; LiCaF3; Ca-F-Li
OSTI Identifier:
1349864
DOI:
10.17188/1349864

Citation Formats

The Materials Project. Materials Data on LiCaF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349864.
The Materials Project. Materials Data on LiCaF3 by Materials Project. United States. doi:10.17188/1349864.
The Materials Project. 2020. "Materials Data on LiCaF3 by Materials Project". United States. doi:10.17188/1349864. https://www.osti.gov/servlets/purl/1349864. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1349864,
title = {Materials Data on LiCaF3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaLiF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent CaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 1.88 Å. Ca2+ is bonded to twelve equivalent F1- atoms to form CaF12 cuboctahedra that share corners with twelve equivalent CaF12 cuboctahedra, faces with six equivalent CaF12 cuboctahedra, and faces with eight equivalent LiF6 octahedra. All Ca–F bond lengths are 2.66 Å. F1- is bonded in a distorted linear geometry to two equivalent Li1+ and four equivalent Ca2+ atoms.},
doi = {10.17188/1349864},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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