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Title: Materials Data on LiCuS by Materials Project

Abstract

LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.

Publication Date:
Other Number(s):
mp-753371
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:
1289005
DOI:
10.17188/1289005

Citation Formats

The Materials Project. Materials Data on LiCuS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289005.
The Materials Project. Materials Data on LiCuS by Materials Project. United States. doi:10.17188/1289005.
The Materials Project. 2020. "Materials Data on LiCuS by Materials Project". United States. doi:10.17188/1289005. https://www.osti.gov/servlets/purl/1289005. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1289005,
title = {Materials Data on LiCuS by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuS crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four equivalent S2- atoms. There are a spread of Li–S bond distances ranging from 2.43–2.60 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.14 Å. S2- is bonded to four equivalent Li1+ and two equivalent Cu1+ atoms to form a mixture of corner and edge-sharing SLi4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 3–22°.},
doi = {10.17188/1289005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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