U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PuNiO3 by Materials Project
Abstract
PuNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent O2- atoms to form PuO12 cuboctahedra that share corners with twelve equivalent PuO12 cuboctahedra, faces with six equivalent PuO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Pu–O bond lengths are 2.67 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Pu4+ and two equivalent Ni2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1188081
- 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; Ni-O-Pu; PuNiO3; crystal structure
- OSTI Identifier:
- 1682750
- DOI:
- https://doi.org/10.17188/1682750
Citation Formats
Materials Data on PuNiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682750.
Materials Data on PuNiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1682750
2020.
"Materials Data on PuNiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1682750. https://www.osti.gov/servlets/purl/1682750. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1682750,
title = {Materials Data on PuNiO3 by Materials Project},
abstractNote = {PuNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent O2- atoms to form PuO12 cuboctahedra that share corners with twelve equivalent PuO12 cuboctahedra, faces with six equivalent PuO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Pu–O bond lengths are 2.67 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Pu4+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1682750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}