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Title: Materials Data on AsH3OF6 by Materials Project

Abstract

H3OAsF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one H3OAsF6 ribbon oriented in the (0, 1, 0) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.61 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.62 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.60 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one As5+ and one H1+ atom. In the second F1-more » site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one As5+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.« less

Publication Date:
Other Number(s):
mp-1191113
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; AsH3OF6; As-F-H-O
OSTI Identifier:
1664037
DOI:
https://doi.org/10.17188/1664037

Citation Formats

The Materials Project. Materials Data on AsH3OF6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664037.
The Materials Project. Materials Data on AsH3OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1664037
The Materials Project. 2019. "Materials Data on AsH3OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1664037. https://www.osti.gov/servlets/purl/1664037. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664037,
title = {Materials Data on AsH3OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {H3OAsF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one H3OAsF6 ribbon oriented in the (0, 1, 0) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.61 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.62 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.60 Å. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one As5+ and one H1+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one As5+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1664037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}