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Title: Materials Data on Co2CuS4 by Materials Project

Abstract

CuCo2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.25 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cu–S bond lengths are 2.26 Å. S2- is bonded to three equivalent Co3+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing SCo3Cu trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-3925
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; Co2CuS4; Co-Cu-S
OSTI Identifier:
1207634
DOI:
https://doi.org/10.17188/1207634

Citation Formats

The Materials Project. Materials Data on Co2CuS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207634.
The Materials Project. Materials Data on Co2CuS4 by Materials Project. United States. doi:https://doi.org/10.17188/1207634
The Materials Project. 2020. "Materials Data on Co2CuS4 by Materials Project". United States. doi:https://doi.org/10.17188/1207634. https://www.osti.gov/servlets/purl/1207634. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207634,
title = {Materials Data on Co2CuS4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCo2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co3+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.25 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cu–S bond lengths are 2.26 Å. S2- is bonded to three equivalent Co3+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing SCo3Cu trigonal pyramids.},
doi = {10.17188/1207634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}