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Title: Materials Data on Cu2GeS3 by Materials Project

Abstract

Cu2GeS3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are three shorter (2.29 Å) and one longer (2.32 Å) Cu–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.39 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SCu2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra.

Publication Date:
Other Number(s):
mp-1072589
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; Cu2GeS3; Cu-Ge-S
OSTI Identifier:
1685640
DOI:
https://doi.org/10.17188/1685640

Citation Formats

The Materials Project. Materials Data on Cu2GeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685640.
The Materials Project. Materials Data on Cu2GeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1685640
The Materials Project. 2020. "Materials Data on Cu2GeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1685640. https://www.osti.gov/servlets/purl/1685640. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1685640,
title = {Materials Data on Cu2GeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2GeS3 is Chalcopyrite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with five equivalent GeS4 tetrahedra and corners with seven equivalent CuS4 tetrahedra. There are three shorter (2.29 Å) and one longer (2.32 Å) Cu–S bond lengths. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent GeS4 tetrahedra and corners with ten equivalent CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.39 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two equivalent Ge4+ atoms to form corner-sharing SCu2Ge2 tetrahedra. In the second S2- site, S2- is bonded to three equivalent Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra.},
doi = {10.17188/1685640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}