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Title: Materials Data on Li3Cr by Materials Project

Abstract

Li3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Cr atoms. All Li–Li bond lengths are 2.88 Å. All Li–Cr bond lengths are 3.32 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Cr atoms to form a mixture of distorted face, edge, and corner-sharing LiLi4Cr4 tetrahedra. All Li–Cr bond lengths are 2.88 Å. Cr is bonded in a body-centered cubic geometry to fourteen Li atoms.

Authors:
Publication Date:
Other Number(s):
mp-1185185
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; Li3Cr; Cr-Li
OSTI Identifier:
1741063
DOI:
https://doi.org/10.17188/1741063

Citation Formats

The Materials Project. Materials Data on Li3Cr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741063.
The Materials Project. Materials Data on Li3Cr by Materials Project. United States. doi:https://doi.org/10.17188/1741063
The Materials Project. 2020. "Materials Data on Li3Cr by Materials Project". United States. doi:https://doi.org/10.17188/1741063. https://www.osti.gov/servlets/purl/1741063. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1741063,
title = {Materials Data on Li3Cr by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Cr atoms. All Li–Li bond lengths are 2.88 Å. All Li–Cr bond lengths are 3.32 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Cr atoms to form a mixture of distorted face, edge, and corner-sharing LiLi4Cr4 tetrahedra. All Li–Cr bond lengths are 2.88 Å. Cr is bonded in a body-centered cubic geometry to fourteen Li atoms.},
doi = {10.17188/1741063},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}