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Title: Materials Data on CsSO3F by Materials Project

Abstract

CsSO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Cs–O bond distances ranging from 3.22–3.42 Å. The Cs–F bond length is 3.27 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one Cs1+ and one S6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-622195
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; CsSO3F; Cs-F-O-S
OSTI Identifier:
1278103
DOI:
10.17188/1278103

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsSO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278103.
Persson, Kristin, & Project, Materials. Materials Data on CsSO3F by Materials Project. United States. doi:10.17188/1278103.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsSO3F by Materials Project". United States. doi:10.17188/1278103. https://www.osti.gov/servlets/purl/1278103. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1278103,
title = {Materials Data on CsSO3F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsSO3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to eight O2- and one F1- atom. There are a spread of Cs–O bond distances ranging from 3.22–3.42 Å. The Cs–F bond length is 3.27 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one Cs1+ and one S6+ atom.},
doi = {10.17188/1278103},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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