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Title: Materials Data on XeN2(OF4)2 by Materials Project

Abstract

XeF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four XeF8 clusters. In each XeF8 cluster, Xe is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.05–2.31 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.

Authors:
Publication Date:
Other Number(s):
mp-23568
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; XeN2(OF4)2; F-N-O-Xe
OSTI Identifier:
1199597
DOI:
https://doi.org/10.17188/1199597

Citation Formats

The Materials Project. Materials Data on XeN2(OF4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199597.
The Materials Project. Materials Data on XeN2(OF4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199597
The Materials Project. 2020. "Materials Data on XeN2(OF4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199597. https://www.osti.gov/servlets/purl/1199597. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1199597,
title = {Materials Data on XeN2(OF4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {XeF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four XeF8 clusters. In each XeF8 cluster, Xe is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.05–2.31 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 = {10.17188/1199597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}