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Title: Materials Data on Na2PdF4 by Materials Project

Abstract

Na2PdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing NaF6 octahedra. The corner-sharing octahedra tilt angles range from 64–68°. There are a spread of Na–F bond distances ranging from 2.29–2.49 Å. Pd2+ is bonded in a square co-planar geometry to four 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 three equivalent Na1+ and one Pd2+ atom to form a mixture of distorted edge and corner-sharing FNa3Pd trigonal pyramids. In the second F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of edge and corner-sharing FNa3Pd tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3622
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; Na2PdF4; F-Na-Pd
OSTI Identifier:
1207147
DOI:
10.17188/1207147

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2PdF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207147.
Persson, Kristin, & Project, Materials. Materials Data on Na2PdF4 by Materials Project. United States. doi:10.17188/1207147.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2PdF4 by Materials Project". United States. doi:10.17188/1207147. https://www.osti.gov/servlets/purl/1207147. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1207147,
title = {Materials Data on Na2PdF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2PdF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six F1- atoms to form a mixture of distorted edge and corner-sharing NaF6 octahedra. The corner-sharing octahedra tilt angles range from 64–68°. There are a spread of Na–F bond distances ranging from 2.29–2.49 Å. Pd2+ is bonded in a square co-planar geometry to four 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 three equivalent Na1+ and one Pd2+ atom to form a mixture of distorted edge and corner-sharing FNa3Pd trigonal pyramids. In the second F1- site, F1- is bonded to three equivalent Na1+ and one Pd2+ atom to form a mixture of edge and corner-sharing FNa3Pd tetrahedra.},
doi = {10.17188/1207147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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