U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191113
- 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; 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}
}