Materials Data on PuRu3C by Materials Project
PuRu3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Ru atoms to form PuRu12 cuboctahedra that share corners with twelve equivalent PuRu12 cuboctahedra, faces with six equivalent PuRu12 cuboctahedra, and faces with eight equivalent CRu6 octahedra. All Pu–Ru bond lengths are 2.95 Å. Ru is bonded to four equivalent Pu and two equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing RuPu4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Ru–C bond lengths are 2.08 Å. C is bonded to six equivalent Ru atoms to form CRu6 octahedra that share corners with six equivalent CRu6 octahedra and faces with eight equivalent PuRu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1195023
- Report Number(s):
- mp-19828
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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