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Title: Materials Data on Li3Cu by Materials Project

Abstract

Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-975882
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; Li3Cu; Cu-Li
OSTI Identifier:
1314900
DOI:
10.17188/1314900

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li3Cu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314900.
Persson, Kristin, & Project, Materials. Materials Data on Li3Cu by Materials Project. United States. doi:10.17188/1314900.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li3Cu by Materials Project". United States. doi:10.17188/1314900. https://www.osti.gov/servlets/purl/1314900. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1314900,
title = {Materials Data on Li3Cu by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu atoms to form a mixture of distorted corner and edge-sharing LiCu4 cuboctahedra. All Li–Cu bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Cu atoms. All Li–Cu bond lengths are 2.76 Å. Cu is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing CuLi12 cuboctahedra.},
doi = {10.17188/1314900},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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