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Title: Materials Data on Se5SO3F by Materials Project

Abstract

(Se)5SO3F crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of forty selenium molecules and eight SO3F clusters. In each SO3F cluster, S2- is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. F1- is bonded in a single-bond geometry to one S2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-650178
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; Se5SO3F; F-O-S-Se
OSTI Identifier:
1280955
DOI:
10.17188/1280955

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Se5SO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280955.
Persson, Kristin, & Project, Materials. Materials Data on Se5SO3F by Materials Project. United States. doi:10.17188/1280955.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Se5SO3F by Materials Project". United States. doi:10.17188/1280955. https://www.osti.gov/servlets/purl/1280955. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1280955,
title = {Materials Data on Se5SO3F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Se)5SO3F crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of forty selenium molecules and eight SO3F clusters. In each SO3F cluster, S2- is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.45 Å) and two longer (1.46 Å) S–O bond length. The S–F bond length is 1.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. F1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1280955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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