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Title: Materials Data on InCuS2 by Materials Project

Abstract

CuInS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. All Cu–S bond lengths are 2.33 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All In–S bond lengths are 2.52 Å. S2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form corner-sharing SIn2Cu2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-22736
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; InCuS2; Cu-In-S
OSTI Identifier:
1198937
DOI:
https://doi.org/10.17188/1198937

Citation Formats

The Materials Project. Materials Data on InCuS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198937.
The Materials Project. Materials Data on InCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1198937
The Materials Project. 2020. "Materials Data on InCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1198937. https://www.osti.gov/servlets/purl/1198937. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1198937,
title = {Materials Data on InCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuInS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. All Cu–S bond lengths are 2.33 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All In–S bond lengths are 2.52 Å. S2- is bonded to two equivalent Cu1+ and two equivalent In3+ atoms to form corner-sharing SIn2Cu2 tetrahedra.},
doi = {10.17188/1198937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}