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Title: Materials Data on AlZnCu3Se4 by Materials Project

Abstract

Cu3ZnAlSe4 crystallizes in the cubic P-43m 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 ZnSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.46 Å. Se2- is bonded in a distorted pentagonal planar geometry to three equivalent Cu1+, one Zn2+, and one Al3+ atom.

Publication Date:
Other Number(s):
mp-1182859
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; AlZnCu3Se4; Al-Cu-Se-Zn
OSTI Identifier:
1728782
DOI:
https://doi.org/10.17188/1728782

Citation Formats

The Materials Project. Materials Data on AlZnCu3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728782.
The Materials Project. Materials Data on AlZnCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1728782
The Materials Project. 2020. "Materials Data on AlZnCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1728782. https://www.osti.gov/servlets/purl/1728782. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1728782,
title = {Materials Data on AlZnCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3ZnAlSe4 crystallizes in the cubic P-43m 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 ZnSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.46 Å. Se2- is bonded in a distorted pentagonal planar geometry to three equivalent Cu1+, one Zn2+, and one Al3+ atom.},
doi = {10.17188/1728782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}