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Title: Materials Data on Pd(XeF8)2 by Materials Project

Abstract

Pd(XeF8)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four Pd(XeF8)2 clusters. there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 5-coordinate geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.99–2.45 Å. In the second Xe site, Xe is bonded in a 5-coordinate geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.99–2.47 Å. Pd is bonded in an octahedral geometry to six F atoms. There are a spread of Pd–F bond distances ranging from 1.94–1.97 Å. There are sixteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pd atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a single-bondmore » geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a distorted single-bond geometry to one Pd atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a single-bond geometry to one Pd atom. In the eleventh F site, F is bonded in a single-bond geometry to one Pd atom. In the twelfth F site, F is bonded in a single-bond geometry to one Xe atom. In the thirteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Pd atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Pd atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Xe atom.« less

Publication Date:
Other Number(s):
mp-649616
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; Pd(XeF8)2; F-Pd-Xe
OSTI Identifier:
1280904
DOI:
https://doi.org/10.17188/1280904

Citation Formats

The Materials Project. Materials Data on Pd(XeF8)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280904.
The Materials Project. Materials Data on Pd(XeF8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280904
The Materials Project. 2020. "Materials Data on Pd(XeF8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280904. https://www.osti.gov/servlets/purl/1280904. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280904,
title = {Materials Data on Pd(XeF8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd(XeF8)2 crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four Pd(XeF8)2 clusters. there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 5-coordinate geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.99–2.45 Å. In the second Xe site, Xe is bonded in a 5-coordinate geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.99–2.47 Å. Pd is bonded in an octahedral geometry to six F atoms. There are a spread of Pd–F bond distances ranging from 1.94–1.97 Å. There are sixteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Pd atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom. In the sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a distorted single-bond geometry to one Pd atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a single-bond geometry to one Pd atom. In the eleventh F site, F is bonded in a single-bond geometry to one Pd atom. In the twelfth F site, F is bonded in a single-bond geometry to one Xe atom. In the thirteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Pd atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifteenth F site, F is bonded in a distorted bent 150 degrees geometry to one Xe and one Pd atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1280904},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}