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Title: Materials Data on MgAlCu3Se4 by Materials Project

Abstract

MgCu3AlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Mg–Se bond lengths are 2.59 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.48 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Mg2+, three equivalent Cu1+, and one Al3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1180332
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; MgAlCu3Se4; Al-Cu-Mg-Se
OSTI Identifier:
1747911
DOI:
https://doi.org/10.17188/1747911

Citation Formats

The Materials Project. Materials Data on MgAlCu3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747911.
The Materials Project. Materials Data on MgAlCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1747911
The Materials Project. 2020. "Materials Data on MgAlCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1747911. https://www.osti.gov/servlets/purl/1747911. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1747911,
title = {Materials Data on MgAlCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgCu3AlSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Mg–Se bond lengths are 2.59 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent AlSe4 tetrahedra. All Cu–Se bond lengths are 2.48 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent MgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Mg2+, three equivalent Cu1+, and one Al3+ atom.},
doi = {10.17188/1747911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}