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Title: Materials Data on Sb2SN2O5F6 by Materials Project

Abstract

N2Sb2SO5F6 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional and consists of eight ammonia molecules and one Sb2SO5F6 framework. In the Sb2SO5F6 framework, Sb4+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–2.57 Å. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb4+ and one S2- atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent O2- and four F1- atoms. Both O–O bond lengths are 2.86 Å. There are two shorter (3.06 Å) and two longer (3.21 Å) O–F bond lengths. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sb4+, one S2-, and one O2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to onemore » Sb4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sb4+ and one O2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb4+ and one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1209560
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; Sb2SN2O5F6; F-N-O-S-Sb
OSTI Identifier:
1705918
DOI:
https://doi.org/10.17188/1705918

Citation Formats

The Materials Project. Materials Data on Sb2SN2O5F6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705918.
The Materials Project. Materials Data on Sb2SN2O5F6 by Materials Project. United States. doi:https://doi.org/10.17188/1705918
The Materials Project. 2020. "Materials Data on Sb2SN2O5F6 by Materials Project". United States. doi:https://doi.org/10.17188/1705918. https://www.osti.gov/servlets/purl/1705918. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1705918,
title = {Materials Data on Sb2SN2O5F6 by Materials Project},
author = {The Materials Project},
abstractNote = {N2Sb2SO5F6 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional and consists of eight ammonia molecules and one Sb2SO5F6 framework. In the Sb2SO5F6 framework, Sb4+ is bonded in a 6-coordinate geometry to two O2- and four F1- atoms. There are one shorter (2.50 Å) and one longer (2.52 Å) Sb–O bond lengths. There are a spread of Sb–F bond distances ranging from 1.92–2.57 Å. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb4+ and one S2- atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent O2- and four F1- atoms. Both O–O bond lengths are 2.86 Å. There are two shorter (3.06 Å) and two longer (3.21 Å) O–F bond lengths. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sb4+, one S2-, and one O2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Sb4+ and one O2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb4+ and one O2- atom.},
doi = {10.17188/1705918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}