U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-13982
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cd-Cu-Ge-S; CdCu2GeS4; crystal structure
- OSTI Identifier:
- 1189857
- DOI:
- https://doi.org/10.17188/1189857
Citation Formats
Materials Data on CdCu2GeS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189857.
Materials Data on CdCu2GeS4 by Materials Project. United States. doi:https://doi.org/10.17188/1189857
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},
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}
}