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Title: Materials Data on LiCrO2 by Materials Project

Abstract

LiCrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent CrO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Li–O bond lengths are 2.17 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Cr–O bond lengths are 2.03 Å. O2- is bonded to three equivalent Li1+ and three equivalent Cr3+ atoms to form a mixture of edge and corner-sharing OLi3Cr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-18793
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; LiCrO2; Cr-Li-O
OSTI Identifier:
1193494
DOI:
https://doi.org/10.17188/1193494

Citation Formats

The Materials Project. Materials Data on LiCrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193494.
The Materials Project. Materials Data on LiCrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1193494
The Materials Project. 2020. "Materials Data on LiCrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1193494. https://www.osti.gov/servlets/purl/1193494. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193494,
title = {Materials Data on LiCrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCrO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent CrO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Li–O bond lengths are 2.17 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Cr–O bond lengths are 2.03 Å. O2- is bonded to three equivalent Li1+ and three equivalent Cr3+ atoms to form a mixture of edge and corner-sharing OLi3Cr3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1193494},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}