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Title: Materials Data on Ba(CuS)2 by Materials Project

Abstract

BaCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ba–S bond lengths are 3.28 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.41 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-4255
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; Ba(CuS)2; Ba-Cu-S
OSTI Identifier:
1208006
DOI:
https://doi.org/10.17188/1208006

Citation Formats

The Materials Project. Materials Data on Ba(CuS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208006.
The Materials Project. Materials Data on Ba(CuS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1208006
The Materials Project. 2020. "Materials Data on Ba(CuS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1208006. https://www.osti.gov/servlets/purl/1208006. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1208006,
title = {Materials Data on Ba(CuS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ba–S bond lengths are 3.28 Å. Cu1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.41 Å. S2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1208006},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}