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Title: Materials Data on Li2CuSb by Materials Project

Abstract

Li2CuSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All Li–Sb bond lengths are 3.17 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent CuSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, and edges with six equivalent CuSb4 tetrahedra. All Li–Sb bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent CuSb4 tetrahedra, and edges with six equivalent LiSb4 tetrahedra. All Cu–Sb bond lengths are 2.74 Å. Sb3- is bonded in a 8-coordinate geometry to ten Li1+ and four equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-15988
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; Li2CuSb; Cu-Li-Sb
OSTI Identifier:
1191500
DOI:
https://doi.org/10.17188/1191500

Citation Formats

The Materials Project. Materials Data on Li2CuSb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191500.
The Materials Project. Materials Data on Li2CuSb by Materials Project. United States. doi:https://doi.org/10.17188/1191500
The Materials Project. 2020. "Materials Data on Li2CuSb by Materials Project". United States. doi:https://doi.org/10.17188/1191500. https://www.osti.gov/servlets/purl/1191500. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1191500,
title = {Materials Data on Li2CuSb by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuSb crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent Sb3- atoms. All Li–Sb bond lengths are 3.17 Å. In the second Li1+ site, Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent CuSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, and edges with six equivalent CuSb4 tetrahedra. All Li–Sb bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent CuSb4 tetrahedra, and edges with six equivalent LiSb4 tetrahedra. All Cu–Sb bond lengths are 2.74 Å. Sb3- is bonded in a 8-coordinate geometry to ten Li1+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1191500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}