U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-H-N-O-Xe; HXeNO3F2; crystal structure
- OSTI Identifier:
- 1686624
- DOI:
- https://doi.org/10.17188/1686624
Citation Formats
Materials Data on HXeNO3F2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1686624.
Materials Data on HXeNO3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1686624
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 04:00:00 UTC 2019
@article{osti_1686624,
title = {Materials Data on HXeNO3F2 by 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}
}