Materials Data on Cd2SeS by Materials Project
Cd2SeS is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to three equivalent Se2- and one S2- atom to form corner-sharing CdSe3S tetrahedra. All Cd–Se bond lengths are 2.66 Å. The Cd–S bond length is 2.58 Å. In the second Cd2+ site, Cd2+ is bonded to one Se2- and three equivalent S2- atoms to form corner-sharing CdSeS3 tetrahedra. The Cd–Se bond length is 2.69 Å. All Cd–S bond lengths are 2.60 Å. Se2- is bonded to four Cd2+ atoms to form SeCd4 tetrahedra that share corners with six equivalent SeCd4 tetrahedra and corners with six equivalent SCd4 tetrahedra. S2- is bonded to four Cd2+ atoms to form SCd4 tetrahedra that share corners with six equivalent SeCd4 tetrahedra and corners with six equivalent SCd4 tetrahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1663573
- Report Number(s):
- mp-1226934
- Country of Publication:
- United States
- Language:
- English
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