Materials Data on Yb2S3 by Materials Project
Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.
- 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:
- 1277964
- Report Number(s):
- mp-619061
- Country of Publication:
- United States
- Language:
- English
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