Materials Data on PuUN2 by Materials Project
PuUN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent N3- atoms to form PuN6 octahedra that share corners with six equivalent UN6 octahedra, edges with six equivalent PuN6 octahedra, and edges with six equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pu–N bond lengths are 2.49 Å. U3+ is bonded to six equivalent N3- atoms to form UN6 octahedra that share corners with six equivalent PuN6 octahedra, edges with six equivalent PuN6 octahedra, and edges with six equivalent UN6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–N bond lengths are 2.39 Å. N3- is bonded to three equivalent Pu3+ and three equivalent U3+ atoms to form a mixture of corner and edge-sharing NPu3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1748167
- Report Number(s):
- mp-1219668
- Country of Publication:
- United States
- Language:
- English
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