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Title: Materials Data on ZrPd3F6 by Materials Project

Abstract

ZrPd3F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Zr is bonded in an octahedral geometry to six F atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.07 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.11 Å. In the third Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.12 Å. There are three inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Zr and one Pd atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Zr and one Pd atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Pd atom.

Authors:
Publication Date:
Other Number(s):
mp-1207583
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; ZrPd3F6; F-Pd-Zr
OSTI Identifier:
1732543
DOI:
https://doi.org/10.17188/1732543

Citation Formats

The Materials Project. Materials Data on ZrPd3F6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732543.
The Materials Project. Materials Data on ZrPd3F6 by Materials Project. United States. doi:https://doi.org/10.17188/1732543
The Materials Project. 2019. "Materials Data on ZrPd3F6 by Materials Project". United States. doi:https://doi.org/10.17188/1732543. https://www.osti.gov/servlets/purl/1732543. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732543,
title = {Materials Data on ZrPd3F6 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrPd3F6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Zr is bonded in an octahedral geometry to six F atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.07 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.11 Å. In the third Pd site, Pd is bonded in a linear geometry to two equivalent F atoms. Both Pd–F bond lengths are 2.12 Å. There are three inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Zr and one Pd atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Zr and one Pd atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Zr and one Pd atom.},
doi = {10.17188/1732543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}