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Title: Materials Data on Cr2CuS4 by Materials Project

Abstract

CuCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.39 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.27 Å. S2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing SCr3Cu trigonal pyramids.

Publication Date:
Other Number(s):
mp-22803
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; Cr2CuS4; Cr-Cu-S
OSTI Identifier:
1198991
DOI:
10.17188/1198991

Citation Formats

The Materials Project. Materials Data on Cr2CuS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198991.
The Materials Project. Materials Data on Cr2CuS4 by Materials Project. United States. doi:10.17188/1198991.
The Materials Project. 2020. "Materials Data on Cr2CuS4 by Materials Project". United States. doi:10.17188/1198991. https://www.osti.gov/servlets/purl/1198991. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198991,
title = {Materials Data on Cr2CuS4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.39 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.27 Å. S2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing SCr3Cu trigonal pyramids.},
doi = {10.17188/1198991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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