U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InAgSe2 by Materials Project
Abstract
AgInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–Se bond lengths are 2.88 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All In–Se bond lengths are 2.82 Å. Se2- is bonded to three equivalent Ag1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeIn3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1007685
- 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; Ag-In-Se; InAgSe2; crystal structure
- OSTI Identifier:
- 1324716
- DOI:
- https://doi.org/10.17188/1324716
Citation Formats
Materials Data on InAgSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1324716.
Materials Data on InAgSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1324716
2020.
"Materials Data on InAgSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1324716. https://www.osti.gov/servlets/purl/1324716. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1324716,
title = {Materials Data on InAgSe2 by Materials Project},
abstractNote = {AgInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–Se bond lengths are 2.88 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All In–Se bond lengths are 2.82 Å. Se2- is bonded to three equivalent Ag1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeIn3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1324716},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}