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Title: Materials Data on SbHSF10 by Materials Project

Abstract

SbF6HFSF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, four SF3 clusters, and four SbF6 clusters. In each SF3 cluster, S6+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is two shorter (1.54 Å) and one longer (1.55 Å) S–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bondedmore » in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.« less

Publication Date:
Other Number(s):
mp-1196491
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; SbHSF10; F-H-S-Sb
OSTI Identifier:
1677710
DOI:
https://doi.org/10.17188/1677710

Citation Formats

The Materials Project. Materials Data on SbHSF10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677710.
The Materials Project. Materials Data on SbHSF10 by Materials Project. United States. doi:https://doi.org/10.17188/1677710
The Materials Project. 2019. "Materials Data on SbHSF10 by Materials Project". United States. doi:https://doi.org/10.17188/1677710. https://www.osti.gov/servlets/purl/1677710. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677710,
title = {Materials Data on SbHSF10 by Materials Project},
author = {The Materials Project},
abstractNote = {SbF6HFSF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrofluoric acid molecules, four SF3 clusters, and four SbF6 clusters. In each SF3 cluster, S6+ is bonded in a distorted T-shaped geometry to three F1- atoms. There is two shorter (1.54 Å) and one longer (1.55 Å) S–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In each SbF6 cluster, Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–1.95 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1677710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}