U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdInS2 by Materials Project
Abstract
CdInS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S2- atoms to form CdS6 octahedra that share corners with twelve equivalent InS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.79 Å. In2+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent InS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All In–S bond lengths are 2.83 Å. S2- is bonded to three equivalent Cd2+ and three equivalent In2+ atoms to form a mixture of distorted corner and edge-sharing SCd3In3 pentagonal pyramids.
- Publication Date:
- Other Number(s):
- mp-20519
- 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-In-S; CdInS2; crystal structure
- OSTI Identifier:
- 1195650
- DOI:
- https://doi.org/10.17188/1195650
Citation Formats
Materials Data on CdInS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195650.
Materials Data on CdInS2 by Materials Project. United States. doi:https://doi.org/10.17188/1195650
2020.
"Materials Data on CdInS2 by Materials Project". United States. doi:https://doi.org/10.17188/1195650. https://www.osti.gov/servlets/purl/1195650. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195650,
title = {Materials Data on CdInS2 by Materials Project},
abstractNote = {CdInS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S2- atoms to form CdS6 octahedra that share corners with twelve equivalent InS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.79 Å. In2+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent InS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All In–S bond lengths are 2.83 Å. S2- is bonded to three equivalent Cd2+ and three equivalent In2+ atoms to form a mixture of distorted corner and edge-sharing SCd3In3 pentagonal pyramids.},
doi = {10.17188/1195650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}