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Title: Materials Data on LiCuS by Materials Project

Abstract

LiCuS crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.82 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a 3-coordinate geometry to six equivalent Li1+ and three equivalent Cu1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-774712
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; LiCuS; Cu-Li-S
OSTI Identifier:
1302644
DOI:
10.17188/1302644

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiCuS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302644.
Persson, Kristin, & Project, Materials. Materials Data on LiCuS by Materials Project. United States. doi:10.17188/1302644.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiCuS by Materials Project". United States. doi:10.17188/1302644. https://www.osti.gov/servlets/purl/1302644. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1302644,
title = {Materials Data on LiCuS by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiCuS crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.82 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.24 Å. S2- is bonded in a 3-coordinate geometry to six equivalent Li1+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1302644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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