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Title: Materials Data on Cu2HgGeS4 by Materials Project

Abstract

Cu2HgGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent HgS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Hg–S bond lengths are 2.60 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ge–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Cu1+, one Hg2+, and one Ge4+ atom to form corner-sharing SCu2HgGe tetrahedra.

Publication Date:
Other Number(s):
mp-10952
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; Cu2HgGeS4; Cu-Ge-Hg-S
OSTI Identifier:
1187477
DOI:
https://doi.org/10.17188/1187477

Citation Formats

The Materials Project. Materials Data on Cu2HgGeS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187477.
The Materials Project. Materials Data on Cu2HgGeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1187477
The Materials Project. 2020. "Materials Data on Cu2HgGeS4 by Materials Project". United States. doi:https://doi.org/10.17188/1187477. https://www.osti.gov/servlets/purl/1187477. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187477,
title = {Materials Data on Cu2HgGeS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2HgGeS4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent HgS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Hg–S bond lengths are 2.60 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Ge–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Cu1+, one Hg2+, and one Ge4+ atom to form corner-sharing SCu2HgGe tetrahedra.},
doi = {10.17188/1187477},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}