Materials Data on TlCdSe2 by Materials Project
CdTlSe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Se+1.50- atoms to form CdSe6 octahedra that share corners with twelve equivalent TlSe6 octahedra, edges with six equivalent CdSe6 octahedra, and faces with two equivalent TlSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–Se bond lengths are 2.87 Å. Tl1+ is bonded to six equivalent Se+1.50- atoms to form TlSe6 octahedra that share corners with twelve equivalent CdSe6 octahedra, edges with six equivalent TlSe6 octahedra, and faces with two equivalent CdSe6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–Se bond lengths are 3.09 Å. Se+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1317432
- Report Number(s):
- mp-998946
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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