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Title: Materials Data on CrCu3HgSe4 by Materials Project

Abstract

CrCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent Se2- atoms to form CrSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Cr–Se bond lengths are 2.38 Å. Cu1+ 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 CrSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent CrSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. Se2- is bonded to one Cr3+, three equivalent Cu1+, and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SeCrCu3Hg trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1181716
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; CrCu3HgSe4; Cr-Cu-Hg-Se
OSTI Identifier:
1686050
DOI:
https://doi.org/10.17188/1686050

Citation Formats

The Materials Project. Materials Data on CrCu3HgSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686050.
The Materials Project. Materials Data on CrCu3HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1686050
The Materials Project. 2020. "Materials Data on CrCu3HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1686050. https://www.osti.gov/servlets/purl/1686050. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1686050,
title = {Materials Data on CrCu3HgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Cr3+ is bonded to four equivalent Se2- atoms to form CrSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Cr–Se bond lengths are 2.38 Å. Cu1+ 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 CrSe4 tetrahedra. All Cu–Se bond lengths are 2.50 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent CrSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. Se2- is bonded to one Cr3+, three equivalent Cu1+, and one Hg2+ atom to form a mixture of distorted corner and edge-sharing SeCrCu3Hg trigonal bipyramids.},
doi = {10.17188/1686050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}