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Title: Materials Data on H6OF4 by Materials Project

Abstract

H6OF4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one H6OF4 ribbon oriented in the (-1, 0, 1) direction. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.54 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 1.48 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 1.49 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.41 Å) H–F bond length. In the fifth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.30 Å) H–F bond length. In the sixth H1+ site, H1+ is bonded inmore » a linear geometry to two F1- atoms. There is one shorter (1.02 Å) and one longer (1.36 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1202141
Report Number(s):
mp-28003
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; H6OF4; F-H-O

Citation Formats

The Materials Project. Materials Data on H6OF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202141.
The Materials Project. Materials Data on H6OF4 by Materials Project. United States. https://doi.org/10.17188/1202141
The Materials Project. 2020. "Materials Data on H6OF4 by Materials Project". United States. https://doi.org/10.17188/1202141. https://www.osti.gov/servlets/purl/1202141.
@article{osti_1202141,
title = {Materials Data on H6OF4 by Materials Project},
author = {The Materials Project},
abstractNote = {H6OF4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one H6OF4 ribbon oriented in the (-1, 0, 1) direction. there are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.54 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 1.48 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 1.49 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.00 Å) and one longer (1.41 Å) H–F bond length. In the fifth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.30 Å) H–F bond length. In the sixth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.02 Å) and one longer (1.36 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.},
doi = {10.17188/1202141},
url = {https://www.osti.gov/biblio/1202141}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}