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Title: Materials Data on AsXeO2F7 by Materials Project

Abstract

XeO2FAsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO2F 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 1.74–1.82 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 XeO2F cluster, Xe is bonded in a distorted trigonal non-coplanar geometry to two O and one F atom. Both Xe–O bond lengths are 1.84 Å. The Xe–F bond length is 2.03 Å. There are two inequivalent O sites. In the first O site, O is bonded inmore » 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. F is bonded in a single-bond geometry to one Xe atom.« less

Publication Date:
Other Number(s):
mp-1228850
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; AsXeO2F7; As-F-O-Xe
OSTI Identifier:
1651790
DOI:
https://doi.org/10.17188/1651790

Citation Formats

The Materials Project. Materials Data on AsXeO2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651790.
The Materials Project. Materials Data on AsXeO2F7 by Materials Project. United States. doi:https://doi.org/10.17188/1651790
The Materials Project. 2020. "Materials Data on AsXeO2F7 by Materials Project". United States. doi:https://doi.org/10.17188/1651790. https://www.osti.gov/servlets/purl/1651790. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1651790,
title = {Materials Data on AsXeO2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {XeO2FAsF6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four XeO2F 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 1.74–1.82 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 XeO2F cluster, Xe is bonded in a distorted trigonal non-coplanar geometry to two O and one F atom. Both Xe–O bond lengths are 1.84 Å. The Xe–F bond length is 2.03 Å. 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. F is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1651790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}