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Title: Materials Data on CuS2 by Materials Project

Abstract

CuS2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one CuS2 sheet oriented in the (0, 0, 1) direction. Cu3+ is bonded to four equivalent S+1.50- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.27 Å. S+1.50- is bonded in a water-like geometry to two equivalent Cu3+ atoms.

Publication Date:
Other Number(s):
mp-850099
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; CuS2; Cu-S
OSTI Identifier:
1308508
DOI:
10.17188/1308508

Citation Formats

The Materials Project. Materials Data on CuS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308508.
The Materials Project. Materials Data on CuS2 by Materials Project. United States. doi:10.17188/1308508.
The Materials Project. 2020. "Materials Data on CuS2 by Materials Project". United States. doi:10.17188/1308508. https://www.osti.gov/servlets/purl/1308508. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1308508,
title = {Materials Data on CuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuS2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one CuS2 sheet oriented in the (0, 0, 1) direction. Cu3+ is bonded to four equivalent S+1.50- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.27 Å. S+1.50- is bonded in a water-like geometry to two equivalent Cu3+ atoms.},
doi = {10.17188/1308508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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