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Title: Materials Data on Li2Cu4S3 by Materials Project

Abstract

Li2Cu4S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–2.94 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.37 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.31 Å) and one longer (2.35 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and four Cu1+ atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four Cu1+ atoms.

Publication Date:
Other Number(s):
mp-753623
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; Li2Cu4S3; Cu-Li-S
OSTI Identifier:
1289076
DOI:
10.17188/1289076

Citation Formats

The Materials Project. Materials Data on Li2Cu4S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289076.
The Materials Project. Materials Data on Li2Cu4S3 by Materials Project. United States. doi:10.17188/1289076.
The Materials Project. 2020. "Materials Data on Li2Cu4S3 by Materials Project". United States. doi:10.17188/1289076. https://www.osti.gov/servlets/purl/1289076. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289076,
title = {Materials Data on Li2Cu4S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Cu4S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–2.94 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.26–2.37 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.31 Å) and one longer (2.35 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and four Cu1+ atoms to form distorted edge-sharing SLi2Cu4 pentagonal pyramids. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four equivalent Li1+ and four Cu1+ atoms.},
doi = {10.17188/1289076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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