Materials Data on SmS2 by Materials Project
SmS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.88–2.97 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.78 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.
- 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:
- 1744846
- Report Number(s):
- mp-1232273
- Country of Publication:
- United States
- Language:
- English
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