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Title: Materials Data on Xe2NO2F13 by Materials Project

Abstract

Xe2F13NO2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydroxylamine, n-hydroxy- molecules and four Xe2F13 clusters. In each Xe2F13 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 6-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.00–2.59 Å. In the second Xe site, Xe is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 2.00–2.24 Å. There are nine 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 distorted bent 120 degrees geometry to two Xe atoms. 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 Fmore » site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556244
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; Xe2NO2F13; F-N-O-Xe
OSTI Identifier:
1269249
DOI:
10.17188/1269249

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Xe2NO2F13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269249.
Persson, Kristin, & Project, Materials. Materials Data on Xe2NO2F13 by Materials Project. United States. doi:10.17188/1269249.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Xe2NO2F13 by Materials Project". United States. doi:10.17188/1269249. https://www.osti.gov/servlets/purl/1269249. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269249,
title = {Materials Data on Xe2NO2F13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Xe2F13NO2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydroxylamine, n-hydroxy- molecules and four Xe2F13 clusters. In each Xe2F13 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 6-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.00–2.59 Å. In the second Xe site, Xe is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 2.00–2.24 Å. There are nine 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 distorted bent 120 degrees geometry to two Xe atoms. 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 single-bond geometry to one Xe atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1269249},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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