DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on H4OF2 by Materials Project

Abstract

(HF)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one (HF)2H2O sheet oriented in the (1, 0, 0) direction. there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.52 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.32 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the second F1- site,more » F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-23798
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; H4OF2; F-H-O
OSTI Identifier:
1199735
DOI:
https://doi.org/10.17188/1199735

Citation Formats

The Materials Project. Materials Data on H4OF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199735.
The Materials Project. Materials Data on H4OF2 by Materials Project. United States. doi:https://doi.org/10.17188/1199735
The Materials Project. 2020. "Materials Data on H4OF2 by Materials Project". United States. doi:https://doi.org/10.17188/1199735. https://www.osti.gov/servlets/purl/1199735. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199735,
title = {Materials Data on H4OF2 by Materials Project},
author = {The Materials Project},
abstractNote = {(HF)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one (HF)2H2O sheet oriented in the (1, 0, 0) direction. there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.52 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.32 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.},
doi = {10.17188/1199735},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}