U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd(InSe2)2 by Materials Project
Abstract
CdIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two In3+ atoms.
- Publication Date:
- Other Number(s):
- mp-22304
- 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(InSe2)2; Cd-In-Se; crystal structure
- OSTI Identifier:
- 1197538
- DOI:
- https://doi.org/10.17188/1197538
Citation Formats
Materials Data on Cd(InSe2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197538.
Materials Data on Cd(InSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197538
2020.
"Materials Data on Cd(InSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197538. https://www.osti.gov/servlets/purl/1197538. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197538,
title = {Materials Data on Cd(InSe2)2 by Materials Project},
abstractNote = {CdIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Cd–Se bond lengths are 2.70 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two In3+ atoms.},
doi = {10.17188/1197538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}