U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbH5(OF3)2 by Materials Project
Abstract
H2(H2O)2(H5O2)2(SbH2OF4)2(SbF4)2(F2)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, one hydrogen molecule, one water molecule, one H5O2 cluster, one SbF4 cluster, and one SbH2OF4 cluster. In the H5O2 cluster, there are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.66 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.66 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.88 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms. In the second O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1219551
- 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; SbH5(OF3)2; F-H-O-Sb
- OSTI Identifier:
- 1676201
- DOI:
- https://doi.org/10.17188/1676201
Citation Formats
The Materials Project. Materials Data on SbH5(OF3)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676201.
The Materials Project. Materials Data on SbH5(OF3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676201
The Materials Project. 2019.
"Materials Data on SbH5(OF3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676201. https://www.osti.gov/servlets/purl/1676201. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676201,
title = {Materials Data on SbH5(OF3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {H2(H2O)2(H5O2)2(SbH2OF4)2(SbF4)2(F2)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, one hydrogen molecule, one water molecule, one H5O2 cluster, one SbF4 cluster, and one SbH2OF4 cluster. In the H5O2 cluster, there are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.66 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.66 Å. In the third H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) H–O bond length. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.88 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three H1+ atoms. In the SbF4 cluster, Sb5+ is bonded in a 6-coordinate geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 2.09–2.22 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Sb5+ atom. In the SbH2OF4 cluster, Sb5+ is bonded in a distorted octahedral geometry to four F1- atoms. There are a spread of Sb–F bond distances ranging from 2.09–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.28 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.96 Å. O2- is bonded in a 1-coordinate geometry to two H1+ and one F1- atom. The O–F bond length is 2.08 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Sb5+ and one O2- atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Sb5+ atom.},
doi = {10.17188/1676201},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}