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Title: Materials Data on Ba2PdF6 by Materials Project

Abstract

Ba2PdF6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ba–F bond distances ranging from 2.69–2.74 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Pd2+ atom.

Publication Date:
Other Number(s):
mp-29794
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ba2PdF6; Ba-F-Pd
OSTI Identifier:
1204251
DOI:
https://doi.org/10.17188/1204251

Citation Formats

The Materials Project. Materials Data on Ba2PdF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204251.
The Materials Project. Materials Data on Ba2PdF6 by Materials Project. United States. doi:https://doi.org/10.17188/1204251
The Materials Project. 2020. "Materials Data on Ba2PdF6 by Materials Project". United States. doi:https://doi.org/10.17188/1204251. https://www.osti.gov/servlets/purl/1204251. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204251,
title = {Materials Data on Ba2PdF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2PdF6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ba–F bond distances ranging from 2.69–2.74 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Pd2+ atom.},
doi = {10.17188/1204251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}