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Title: Materials Data on CoCu3HgSe4 by Materials Project

Abstract

CoCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Co–Se bond lengths are 2.29 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CoSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.78 Å. Se2- is bonded to one Co2+, three equivalent Cu+1.33+, and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SeCoCu3Hg trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1181785
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; CoCu3HgSe4; Co-Cu-Hg-Se
OSTI Identifier:
1705590
DOI:
https://doi.org/10.17188/1705590

Citation Formats

The Materials Project. Materials Data on CoCu3HgSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705590.
The Materials Project. Materials Data on CoCu3HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1705590
The Materials Project. 2020. "Materials Data on CoCu3HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1705590. https://www.osti.gov/servlets/purl/1705590. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1705590,
title = {Materials Data on CoCu3HgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {CoCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Co–Se bond lengths are 2.29 Å. Cu+1.33+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CoSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.78 Å. Se2- is bonded to one Co2+, three equivalent Cu+1.33+, and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SeCoCu3Hg trigonal bipyramids.},
doi = {10.17188/1705590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}