U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AcPdO3 by Materials Project
Abstract
AcPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent O atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Ac–O bond lengths are 2.89 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ac and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing OAc4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1183145
- 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; Ac-O-Pd; AcPdO3; crystal structure
- OSTI Identifier:
- 1672436
- DOI:
- https://doi.org/10.17188/1672436
Citation Formats
Materials Data on AcPdO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672436.
Materials Data on AcPdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1672436
2020.
"Materials Data on AcPdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1672436. https://www.osti.gov/servlets/purl/1672436. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1672436,
title = {Materials Data on AcPdO3 by Materials Project},
abstractNote = {AcPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac is bonded to twelve equivalent O atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Ac–O bond lengths are 2.89 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.05 Å. O is bonded to four equivalent Ac and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing OAc4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1672436},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}