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Title: Materials Data on YCu3HgSe4 by Materials Project

Abstract

YCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- atoms to form YSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.62 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 YSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent YSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.63 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Y3+, three equivalent Cu1+, and one Hg2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1178710
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; YCu3HgSe4; Cu-Hg-Se-Y
OSTI Identifier:
1708246
DOI:
https://doi.org/10.17188/1708246

Citation Formats

The Materials Project. Materials Data on YCu3HgSe4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708246.
The Materials Project. Materials Data on YCu3HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1708246
The Materials Project. 2019. "Materials Data on YCu3HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1708246. https://www.osti.gov/servlets/purl/1708246. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708246,
title = {Materials Data on YCu3HgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {YCu3HgSe4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- atoms to form YSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Y–Se bond lengths are 2.62 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 YSe4 tetrahedra. All Cu–Se bond lengths are 2.62 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent YSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.63 Å. Se2- is bonded in a distorted pentagonal planar geometry to one Y3+, three equivalent Cu1+, and one Hg2+ atom.},
doi = {10.17188/1708246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}