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Title: Materials Data on ZnCu2SnSe4 by Materials Project

Abstract

Cu2ZnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnCu2Sn tetrahedra.

Publication Date:
Other Number(s):
mp-16564
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; ZnCu2SnSe4; Cu-Se-Sn-Zn
OSTI Identifier:
1192033
DOI:
10.17188/1192033

Citation Formats

The Materials Project. Materials Data on ZnCu2SnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192033.
The Materials Project. Materials Data on ZnCu2SnSe4 by Materials Project. United States. doi:10.17188/1192033.
The Materials Project. 2020. "Materials Data on ZnCu2SnSe4 by Materials Project". United States. doi:10.17188/1192033. https://www.osti.gov/servlets/purl/1192033. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192033,
title = {Materials Data on ZnCu2SnSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2ZnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.51 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Zn2+, and one Sn4+ atom to form corner-sharing SeZnCu2Sn tetrahedra.},
doi = {10.17188/1192033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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