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Title: Materials Data on AsXe2O4F9 by Materials Project

Abstract

Xe2O4F3AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four Xe2O4F3 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 1.74–1.80 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 Xe2O4F3 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a distorted see-saw-like geometry to two O and two F atoms. Both Xe–O bond lengths are 1.85 Å. There are one shorter (2.03 Å) and one longer (2.31 Å) Xe–Fmore » bond lengths. In the second Xe site, Xe is bonded in a distorted see-saw-like geometry to two O and two F atoms. Both Xe–O bond lengths are 1.85 Å. There are one shorter (2.04 Å) and one longer (2.28 Å) Xe–F bond lengths. There are four 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. In the third O site, O is bonded in a single-bond geometry to one Xe atom. In the fourth O site, O is bonded in a single-bond geometry to one Xe atom. There are three 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 linear geometry to two Xe atoms.« less

Publication Date:
Other Number(s):
mp-672342
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; AsXe2O4F9; As-F-O-Xe
OSTI Identifier:
1281854
DOI:
10.17188/1281854

Citation Formats

The Materials Project. Materials Data on AsXe2O4F9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281854.
The Materials Project. Materials Data on AsXe2O4F9 by Materials Project. United States. doi:10.17188/1281854.
The Materials Project. 2020. "Materials Data on AsXe2O4F9 by Materials Project". United States. doi:10.17188/1281854. https://www.osti.gov/servlets/purl/1281854. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281854,
title = {Materials Data on AsXe2O4F9 by Materials Project},
author = {The Materials Project},
abstractNote = {Xe2O4F3AsF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four AsF6 clusters and four Xe2O4F3 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 1.74–1.80 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 Xe2O4F3 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a distorted see-saw-like geometry to two O and two F atoms. Both Xe–O bond lengths are 1.85 Å. There are one shorter (2.03 Å) and one longer (2.31 Å) Xe–F bond lengths. In the second Xe site, Xe is bonded in a distorted see-saw-like geometry to two O and two F atoms. Both Xe–O bond lengths are 1.85 Å. There are one shorter (2.04 Å) and one longer (2.28 Å) Xe–F bond lengths. There are four 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. In the third O site, O is bonded in a single-bond geometry to one Xe atom. In the fourth O site, O is bonded in a single-bond geometry to one Xe atom. There are three 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 linear geometry to two Xe atoms.},
doi = {10.17188/1281854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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