U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PaAgO3 by Materials Project
Abstract
PaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. Ag1+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ag–O bond lengths are 3.07 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Ag1+ atoms.
- Publication Date:
- Other Number(s):
- mp-977455
- 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; Ag-O-Pa; PaAgO3; crystal structure
- OSTI Identifier:
- 1315752
- DOI:
- https://doi.org/10.17188/1315752
Citation Formats
Materials Data on PaAgO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315752.
Materials Data on PaAgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1315752
2020.
"Materials Data on PaAgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1315752. https://www.osti.gov/servlets/purl/1315752. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1315752,
title = {Materials Data on PaAgO3 by Materials Project},
abstractNote = {PaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.17 Å. Ag1+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Ag–O bond lengths are 3.07 Å. O2- is bonded in a distorted linear geometry to two equivalent Pa5+ and four equivalent Ag1+ atoms.},
doi = {10.17188/1315752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}