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Title: Materials Data on AsXeF11 by Materials Project

Abstract

XeF5AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeF5 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.85 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of Xe–F bond distances ranging from 1.96–1.98 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to onemore » Xe 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.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554379
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; AsXeF11; As-F-Xe
OSTI Identifier:
1267876
DOI:
10.17188/1267876

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsXeF11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267876.
Persson, Kristin, & Project, Materials. Materials Data on AsXeF11 by Materials Project. United States. doi:10.17188/1267876.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsXeF11 by Materials Project". United States. doi:10.17188/1267876. https://www.osti.gov/servlets/purl/1267876. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1267876,
title = {Materials Data on AsXeF11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {XeF5AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeF5 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.74–1.85 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each XeF5 cluster, Xe is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of Xe–F bond distances ranging from 1.96–1.98 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe 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.},
doi = {10.17188/1267876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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