U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2GeSe3 by Materials Project
Abstract
Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1096802
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ag2GeSe3; Ag-Ge-Se
- OSTI Identifier:
- 1681234
- DOI:
- https://doi.org/10.17188/1681234
Citation Formats
The Materials Project. Materials Data on Ag2GeSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681234.
The Materials Project. Materials Data on Ag2GeSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1681234
The Materials Project. 2020.
"Materials Data on Ag2GeSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1681234. https://www.osti.gov/servlets/purl/1681234. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681234,
title = {Materials Data on Ag2GeSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.},
doi = {10.17188/1681234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}