U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KLaPdO3 by Materials Project
Abstract
KLaPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.04 Å. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.66 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.03–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+, two equivalent La3+, and one Pd2+ atom to form distorted OK3La2Pd octahedra that share corners with five equivalent OK2La3Pd octahedra and edges with eight OK3La2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to two equivalent K1+, three equivalent La3+, and one Pd2+ atom to form a mixture of distorted corner and edge-sharing OK2La3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent La3+, and two equivalent Pd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-556475
- 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; crystal structure; K-La-O-Pd; KLaPdO3
- OSTI Identifier:
- 1269368
- DOI:
- https://doi.org/10.17188/1269368
Citation Formats
Materials Data on KLaPdO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269368.
Materials Data on KLaPdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1269368
2020.
"Materials Data on KLaPdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1269368. https://www.osti.gov/servlets/purl/1269368. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1269368,
title = {Materials Data on KLaPdO3 by Materials Project},
abstractNote = {KLaPdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.04 Å. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.66 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pd–O bond distances ranging from 2.03–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent K1+, two equivalent La3+, and one Pd2+ atom to form distorted OK3La2Pd octahedra that share corners with five equivalent OK2La3Pd octahedra and edges with eight OK3La2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to two equivalent K1+, three equivalent La3+, and one Pd2+ atom to form a mixture of distorted corner and edge-sharing OK2La3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent K1+, two equivalent La3+, and two equivalent Pd2+ atoms.},
doi = {10.17188/1269368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}