Materials Data on Nb3Ru by Materials Project
Nb3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to four equivalent Nb and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing NbNb4Ru4 tetrahedra. All Nb–Nb bond lengths are 2.81 Å. All Nb–Ru bond lengths are 2.81 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Ru atoms. All Nb–Ru bond lengths are 3.24 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen Nb 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:
- 1315736
- Report Number(s):
- mp-977434
- Country of Publication:
- United States
- Language:
- English
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