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Title: Materials Data on Cu2S by Materials Project

Abstract

Cu2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.45 Å. In the second Cu1+ site, Cu1+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing CuS5 trigonal bipyramids. There are three shorter (2.45 Å) and two longer (2.68 Å) Cu–S bond lengths. S2- is bonded to eight Cu1+ atoms to form a mixture of corner and edge-sharing SCu8 hexagonal bipyramids.

Publication Date:
Other Number(s):
mp-553942
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; Cu2S; Cu-S
OSTI Identifier:
1267647
DOI:
10.17188/1267647

Citation Formats

The Materials Project. Materials Data on Cu2S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267647.
The Materials Project. Materials Data on Cu2S by Materials Project. United States. doi:10.17188/1267647.
The Materials Project. 2020. "Materials Data on Cu2S by Materials Project". United States. doi:10.17188/1267647. https://www.osti.gov/servlets/purl/1267647. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267647,
title = {Materials Data on Cu2S by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.45 Å. In the second Cu1+ site, Cu1+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing CuS5 trigonal bipyramids. There are three shorter (2.45 Å) and two longer (2.68 Å) Cu–S bond lengths. S2- is bonded to eight Cu1+ atoms to form a mixture of corner and edge-sharing SCu8 hexagonal bipyramids.},
doi = {10.17188/1267647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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