Materials Data on BaYb3 by Materials Project
BaYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.87 Å) and six longer (4.47 Å) Ba–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.87 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Yb atoms.
- 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:
- 1674922
- Report Number(s):
- mp-1183399
- Country of Publication:
- United States
- Language:
- English
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