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Title: Materials Data on HXeNO3F2 by Materials Project

Abstract

XeNHO3F2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four XeNHO3F2 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.05 Å) and one longer (2.12 Å) Xe–F bond lengths. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.40 Å. H is bonded in a single-bond geometry to one O and one F atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.69 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a water-like geometry to one N and one H atom. In the third O site, O is bonded in a single-bond geometry to one N atom. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to one Xe and one H atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom.

Publication Date:
Other Number(s):
mp-1204146
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; HXeNO3F2; F-H-N-O-Xe
OSTI Identifier:
1686624
DOI:
https://doi.org/10.17188/1686624

Citation Formats

The Materials Project. Materials Data on HXeNO3F2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1686624.
The Materials Project. Materials Data on HXeNO3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1686624
The Materials Project. 2019. "Materials Data on HXeNO3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1686624. https://www.osti.gov/servlets/purl/1686624. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1686624,
title = {Materials Data on HXeNO3F2 by Materials Project},
author = {The Materials Project},
abstractNote = {XeNHO3F2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four XeNHO3F2 clusters. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.05 Å) and one longer (2.12 Å) Xe–F bond lengths. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.40 Å. H is bonded in a single-bond geometry to one O and one F atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.69 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a water-like geometry to one N and one H atom. In the third O site, O is bonded in a single-bond geometry to one N atom. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to one Xe and one H atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom.},
doi = {10.17188/1686624},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}