DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba4PdO6 by Materials Project

Abstract

Ba4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.94 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.12 Å. O2- is bonded to five Ba2+ and one Pd4+ atom to form a mixture of distorted face, edge, and corner-sharing OBa5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–61°.

Authors:
Publication Date:
Other Number(s):
mp-782050
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; Ba4PdO6; Ba-O-Pd
OSTI Identifier:
1307621
DOI:
https://doi.org/10.17188/1307621

Citation Formats

The Materials Project. Materials Data on Ba4PdO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307621.
The Materials Project. Materials Data on Ba4PdO6 by Materials Project. United States. doi:https://doi.org/10.17188/1307621
The Materials Project. 2020. "Materials Data on Ba4PdO6 by Materials Project". United States. doi:https://doi.org/10.17188/1307621. https://www.osti.gov/servlets/purl/1307621. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1307621,
title = {Materials Data on Ba4PdO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba4PdO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–2.94 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.65 Å. Pd4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Pd–O bond lengths are 2.12 Å. O2- is bonded to five Ba2+ and one Pd4+ atom to form a mixture of distorted face, edge, and corner-sharing OBa5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–61°.},
doi = {10.17188/1307621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}