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Title: Materials Data on AsXe(OF2)3 by Materials Project

Abstract

XeO3AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO3 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 1.74–1.81 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 XeO3 cluster, Xe is bonded in a 3-coordinate geometry to three O atoms. There is one shorter (1.86 Å) and two longer (1.93 Å) Xe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to onemore » Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1214911
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; AsXe(OF2)3; As-F-O-Xe
OSTI Identifier:
1745919
DOI:
https://doi.org/10.17188/1745919

Citation Formats

The Materials Project. Materials Data on AsXe(OF2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745919.
The Materials Project. Materials Data on AsXe(OF2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1745919
The Materials Project. 2020. "Materials Data on AsXe(OF2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1745919. https://www.osti.gov/servlets/purl/1745919. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1745919,
title = {Materials Data on AsXe(OF2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {XeO3AsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO3 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 1.74–1.81 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 XeO3 cluster, Xe is bonded in a 3-coordinate geometry to three O atoms. There is one shorter (1.86 Å) and two longer (1.93 Å) Xe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Xe atom. In the second O site, O is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1745919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}