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

Title: Materials Data on PdF3 by Materials Project

Abstract

PdF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six F atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedra tilt angles range from 26–35°. There are three shorter (1.99 Å) and three longer (2.04 Å) Pd–F bond lengths. In the second Pd site, Pd is bonded to six equivalent F atoms to form distorted corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Pd–F bond lengths are 2.10 Å. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Pd atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Pd atoms.

Publication Date:
Other Number(s):
mp-14112
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; PdF3; F-Pd
OSTI Identifier:
1189936
DOI:
10.17188/1189936

Citation Formats

The Materials Project. Materials Data on PdF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189936.
The Materials Project. Materials Data on PdF3 by Materials Project. United States. doi:10.17188/1189936.
The Materials Project. 2020. "Materials Data on PdF3 by Materials Project". United States. doi:10.17188/1189936. https://www.osti.gov/servlets/purl/1189936. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1189936,
title = {Materials Data on PdF3 by Materials Project},
author = {The Materials Project},
abstractNote = {PdF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six F atoms to form corner-sharing PdF6 octahedra. The corner-sharing octahedra tilt angles range from 26–35°. There are three shorter (1.99 Å) and three longer (2.04 Å) Pd–F bond lengths. In the second Pd site, Pd is bonded to six equivalent F atoms to form distorted corner-sharing PdF6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Pd–F bond lengths are 2.10 Å. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two Pd atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two equivalent Pd atoms.},
doi = {10.17188/1189936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: