U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaPuO3 by Materials Project
Abstract
BaPuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent PuO6 octahedra. All Ba–O bond lengths are 3.12 Å. Pu4+ is bonded to six equivalent O2- atoms to form PuO6 octahedra that share corners with six equivalent PuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–O bond lengths are 2.21 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Pu4+ atoms.
- Publication Date:
- Other Number(s):
- mp-7143
- 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; Ba-O-Pu; BaPuO3; crystal structure
- OSTI Identifier:
- 1272879
- DOI:
- https://doi.org/10.17188/1272879
Citation Formats
Materials Data on BaPuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272879.
Materials Data on BaPuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1272879
2020.
"Materials Data on BaPuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1272879. https://www.osti.gov/servlets/purl/1272879. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1272879,
title = {Materials Data on BaPuO3 by Materials Project},
abstractNote = {BaPuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent PuO6 octahedra. All Ba–O bond lengths are 3.12 Å. Pu4+ is bonded to six equivalent O2- atoms to form PuO6 octahedra that share corners with six equivalent PuO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–O bond lengths are 2.21 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Pu4+ atoms.},
doi = {10.17188/1272879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}