Materials Data on KEuPdO3 by Materials Project
Abstract
KEuPdO3 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 2.66–3.08 Å. Eu3+ is bonded to seven O2- atoms to form distorted edge-sharing EuO7 hexagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.30–2.59 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 2.01–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+, three equivalent Eu3+, and one Pd2+ atom to form distorted OK2Eu3Pd octahedra that share corners with five equivalent OK3Eu2Pd octahedra and edges with eight OK2Eu3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to three equivalent K1+, two equivalent Eu3+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing OK3Eu2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Pd2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555949
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; KEuPdO3; Eu-K-O-Pd
- OSTI Identifier:
- 1269076
- DOI:
- https://doi.org/10.17188/1269076
Citation Formats
The Materials Project. Materials Data on KEuPdO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269076.
The Materials Project. Materials Data on KEuPdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1269076
The Materials Project. 2020.
"Materials Data on KEuPdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1269076. https://www.osti.gov/servlets/purl/1269076. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1269076,
title = {Materials Data on KEuPdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KEuPdO3 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 2.66–3.08 Å. Eu3+ is bonded to seven O2- atoms to form distorted edge-sharing EuO7 hexagonal pyramids. There are a spread of Eu–O bond distances ranging from 2.30–2.59 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 2.01–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent K1+, three equivalent Eu3+, and one Pd2+ atom to form distorted OK2Eu3Pd octahedra that share corners with five equivalent OK3Eu2Pd octahedra and edges with eight OK2Eu3Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the second O2- site, O2- is bonded to three equivalent K1+, two equivalent Eu3+, and one Pd2+ atom to form a mixture of distorted edge and corner-sharing OK3Eu2Pd octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Eu3+, and two equivalent Pd2+ atoms.},
doi = {10.17188/1269076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}