Materials Data on NpAu3 by Materials Project
NpAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.02 Å) and six longer (3.49 Å) Np–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Np3+ and four equivalent Au1- atoms to form a mixture of distorted face, edge, and corner-sharing AuNp4Au4 tetrahedra. All Au–Au bond lengths are 3.02 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Np3+ and eight equivalent Au1- 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:
- 1310019
- Report Number(s):
- mp-864613
- Country of Publication:
- United States
- Language:
- English
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