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Title: Materials Data on SbH2SO3F7 by Materials Project

Abstract

SbH2SO3F7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbH2SO3F7 ribbons oriented in the (2, 0, 1) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are two 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 1.05 Å. The H–F bond length is 1.43 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 1.04 Å. The H–F bond length is 1.46 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.41–1.51 Å. The S–F bond length is 1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and onemore » S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1197346
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; SbH2SO3F7; F-H-O-S-Sb
OSTI Identifier:
1686369
DOI:
https://doi.org/10.17188/1686369

Citation Formats

The Materials Project. Materials Data on SbH2SO3F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686369.
The Materials Project. Materials Data on SbH2SO3F7 by Materials Project. United States. doi:https://doi.org/10.17188/1686369
The Materials Project. 2020. "Materials Data on SbH2SO3F7 by Materials Project". United States. doi:https://doi.org/10.17188/1686369. https://www.osti.gov/servlets/purl/1686369. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1686369,
title = {Materials Data on SbH2SO3F7 by Materials Project},
author = {The Materials Project},
abstractNote = {SbH2SO3F7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbH2SO3F7 ribbons oriented in the (2, 0, 1) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are two 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 1.05 Å. The H–F bond length is 1.43 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 1.04 Å. The H–F bond length is 1.46 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.41–1.51 Å. The S–F bond length is 1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom.},
doi = {10.17188/1686369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}