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Title: Materials Data on CoCu2SnSe4 by Materials Project

Abstract

Cu2CoSnSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Co–Se bond lengths are 2.40 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.42 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Sn–Se bond lengths are 2.65 Å. Se2- is bonded to one Co2+, two Cu1+, and one Sn4+ atom to form corner-sharing SeCoCu2Sn tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1226100
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; CoCu2SnSe4; Co-Cu-Se-Sn
OSTI Identifier:
1682844
DOI:
https://doi.org/10.17188/1682844

Citation Formats

The Materials Project. Materials Data on CoCu2SnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682844.
The Materials Project. Materials Data on CoCu2SnSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1682844
The Materials Project. 2020. "Materials Data on CoCu2SnSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1682844. https://www.osti.gov/servlets/purl/1682844. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682844,
title = {Materials Data on CoCu2SnSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2CoSnSe4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Co–Se bond lengths are 2.40 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.42 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with eight CuSe4 tetrahedra. All Sn–Se bond lengths are 2.65 Å. Se2- is bonded to one Co2+, two Cu1+, and one Sn4+ atom to form corner-sharing SeCoCu2Sn tetrahedra.},
doi = {10.17188/1682844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}