Materials Data on Np3B by Materials Project
Np3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to four equivalent Np and four equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing NpNp4B4 tetrahedra. All Np–Np bond lengths are 2.71 Å. All Np–B bond lengths are 2.71 Å. In the second Np site, Np is bonded in a 8-coordinate geometry to eight equivalent Np and six equivalent B atoms. All Np–B bond lengths are 3.12 Å. B is bonded in a distorted body-centered cubic geometry to fourteen Np 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:
- 1654555
- Report Number(s):
- mp-1186194
- Country of Publication:
- United States
- Language:
- English
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