U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2CdSe4 by Materials Project
Abstract
CdAl2Se4 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 AlSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-3159
- 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; Al-Cd-Se; Al2CdSe4; crystal structure
- OSTI Identifier:
- 1205769
- DOI:
- https://doi.org/10.17188/1205769
Citation Formats
Materials Data on Al2CdSe4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1205769.
Materials Data on Al2CdSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1205769
2017.
"Materials Data on Al2CdSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1205769. https://www.osti.gov/servlets/purl/1205769. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1205769,
title = {Materials Data on Al2CdSe4 by Materials Project},
abstractNote = {CdAl2Se4 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 AlSe4 tetrahedra. All Cd–Se bond lengths are 2.69 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.42 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Al3+ atoms.},
doi = {10.17188/1205769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}