Materials Data on Ba3Nb by Materials Project
Ba3Nb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Nb atoms to form a mixture of distorted edge, corner, and face-sharing BaBa4Nb4 tetrahedra. All Ba–Ba bond lengths are 3.86 Å. All Ba–Nb bond lengths are 3.86 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Ba and six equivalent Nb atoms. All Ba–Nb bond lengths are 4.46 Å. Nb is bonded in a body-centered cubic geometry to fourteen Ba 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:
- 1688306
- Report Number(s):
- mp-1183322
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba3Mn by Materials Project
Materials Data on Ba3Mo by Materials Project
Materials Data on Nb3Ru by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1758218
Materials Data on Ba3Mo by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1687503
Materials Data on Nb3Ru by Materials Project
Dataset
·
Fri Jul 24 00:00:00 EDT 2020
·
OSTI ID:1315736