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Title: Materials Data on CdCu3NiSe4 by Materials Project

Abstract

NiCu3CdSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ni2+ is bonded to four equivalent Se2- atoms to form NiSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Ni–Se bond lengths are 2.35 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent NiSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent NiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.65 Å. Se2- is bonded to one Ni2+, three equivalent Cu+1.33+, and one Cd2+ atom to form a mixture of distorted edge and corner-sharing SeCdCu3Ni trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1181879
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; CdCu3NiSe4; Cd-Cu-Ni-Se
OSTI Identifier:
1744934
DOI:
https://doi.org/10.17188/1744934

Citation Formats

The Materials Project. Materials Data on CdCu3NiSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744934.
The Materials Project. Materials Data on CdCu3NiSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1744934
The Materials Project. 2020. "Materials Data on CdCu3NiSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1744934. https://www.osti.gov/servlets/purl/1744934. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744934,
title = {Materials Data on CdCu3NiSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {NiCu3CdSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ni2+ is bonded to four equivalent Se2- atoms to form NiSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Ni–Se bond lengths are 2.35 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent NiSe4 tetrahedra. All Cu–Se bond lengths are 2.45 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent NiSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Cd–Se bond lengths are 2.65 Å. Se2- is bonded to one Ni2+, three equivalent Cu+1.33+, and one Cd2+ atom to form a mixture of distorted edge and corner-sharing SeCdCu3Ni trigonal bipyramids.},
doi = {10.17188/1744934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}