U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdCu2GeSe4 by Materials Project
Abstract
Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites.more »
- Publication Date:
- Other Number(s):
- mp-1226932
- 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-Se; CdCu2GeSe4; crystal structure
- OSTI Identifier:
- 1729921
- DOI:
- https://doi.org/10.17188/1729921
Citation Formats
Materials Data on CdCu2GeSe4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1729921.
Materials Data on CdCu2GeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1729921
2019.
"Materials Data on CdCu2GeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1729921. https://www.osti.gov/servlets/purl/1729921. Pub date:Sat Jan 12 23:00:00 EST 2019
@article{osti_1729921,
title = {Materials Data on CdCu2GeSe4 by Materials Project},
abstractNote = {Cu2CdGeSe4 is Stannite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.40–2.43 Å. In the second Cu1+ site, Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent CdSe4 tetrahedra, and corners with four equivalent GeSe4 tetrahedra. There are a spread of Cu–Se bond distances ranging from 2.42–2.47 Å. Cd2+ is bonded to four Se2- atoms to form CdSe4 tetrahedra that share corners with four equivalent GeSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Cd–Se bond distances ranging from 2.66–2.69 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with eight CuSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.42–2.45 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the second Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the third Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra. In the fourth Se2- site, Se2- is bonded to two Cu1+, one Cd2+, and one Ge4+ atom to form corner-sharing SeCdCu2Ge tetrahedra.},
doi = {10.17188/1729921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}