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Title: Materials Data on Zn2GaCuSe4 by Materials Project

Abstract

CuZn2GaSe4 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 GaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent GaSe4 tetrahedra. All Zn–Se bond lengths are 2.48 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded to one Cu1+, two equivalent Zn2+, and one Ga3+ atom to form corner-sharing SeZn2GaCu tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1215542
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; Zn2GaCuSe4; Cu-Ga-Se-Zn
OSTI Identifier:
1687603
DOI:
https://doi.org/10.17188/1687603

Citation Formats

The Materials Project. Materials Data on Zn2GaCuSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687603.
The Materials Project. Materials Data on Zn2GaCuSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1687603
The Materials Project. 2020. "Materials Data on Zn2GaCuSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1687603. https://www.osti.gov/servlets/purl/1687603. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687603,
title = {Materials Data on Zn2GaCuSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {CuZn2GaSe4 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 GaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent ZnSe4 tetrahedra, and corners with four equivalent GaSe4 tetrahedra. All Zn–Se bond lengths are 2.48 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded to one Cu1+, two equivalent Zn2+, and one Ga3+ atom to form corner-sharing SeZn2GaCu tetrahedra.},
doi = {10.17188/1687603},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}