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Title: Materials Data on LiCuS by Materials Project

Abstract

LiCuS crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.46–2.73 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.47–2.71 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.24 Å) and one longer (2.25 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.24 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to four Li1+ and three Cu1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four Li1+ and three Cu1+ atoms.

Publication Date:
Other Number(s):
mp-753508
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:
1289044
DOI:
https://doi.org/10.17188/1289044

Citation Formats

The Materials Project. Materials Data on LiCuS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289044.
The Materials Project. Materials Data on LiCuS by Materials Project. United States. doi:https://doi.org/10.17188/1289044
The Materials Project. 2020. "Materials Data on LiCuS by Materials Project". United States. doi:https://doi.org/10.17188/1289044. https://www.osti.gov/servlets/purl/1289044. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289044,
title = {Materials Data on LiCuS by Materials Project},
author = {The Materials Project},
abstractNote = {LiCuS crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.46–2.73 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Li–S bond distances ranging from 2.47–2.71 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.24 Å) and one longer (2.25 Å) Cu–S bond lengths. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. All Cu–S bond lengths are 2.24 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to four Li1+ and three Cu1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to four Li1+ and three Cu1+ atoms.},
doi = {10.17188/1289044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}