U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PuRu3C by Materials Project
Abstract
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°.
- Publication Date:
- Other Number(s):
- mp-19828
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Pu-Ru; PuRu3C; crystal structure
- OSTI Identifier:
- 1195023
- DOI:
- https://doi.org/10.17188/1195023
Citation Formats
Materials Data on PuRu3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195023.
Materials Data on PuRu3C by Materials Project. United States. doi:https://doi.org/10.17188/1195023
2020.
"Materials Data on PuRu3C by Materials Project". United States. doi:https://doi.org/10.17188/1195023. https://www.osti.gov/servlets/purl/1195023. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195023,
title = {Materials Data on PuRu3C by Materials Project},
abstractNote = {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°.},
doi = {10.17188/1195023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}