skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CdCu2GeS4 by Materials Project

Abstract

Cu2CdGeS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.56–2.58 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.28 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra. In the third S2- site, S2- is bonded to twomore » equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra.« less

Publication Date:
Other Number(s):
mp-13982
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; CdCu2GeS4; Cd-Cu-Ge-S
OSTI Identifier:
1189857
DOI:
https://doi.org/10.17188/1189857

Citation Formats

The Materials Project. Materials Data on CdCu2GeS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189857.
The Materials Project. Materials Data on CdCu2GeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1189857
The Materials Project. 2020. "Materials Data on CdCu2GeS4 by Materials Project". United States. doi:https://doi.org/10.17188/1189857. https://www.osti.gov/servlets/purl/1189857. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189857,
title = {Materials Data on CdCu2GeS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2CdGeS4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent GeS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.30–2.32 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.56–2.58 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with four equivalent CdS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. There are two shorter (2.27 Å) and two longer (2.28 Å) Ge–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra. In the third S2- site, S2- is bonded to two equivalent Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SCdCu2Ge tetrahedra.},
doi = {10.17188/1189857},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}