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Title: Materials Data on CsSO2F by Materials Project

Abstract

CsSO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent F1- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.37 Å. There are a spread of Cs–F bond distances ranging from 3.31–3.62 Å. S4+ is bonded in a trigonal non-coplanar geometry to two equivalent O2- and one F1- atom. Both S–O bond lengths are 1.48 Å. The S–F bond length is 1.81 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S4+ atom. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one S4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6368
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; CsSO2F; Cs-F-O-S
OSTI Identifier:
1279602
DOI:
10.17188/1279602

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CsSO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279602.
Persson, Kristin, & Project, Materials. Materials Data on CsSO2F by Materials Project. United States. doi:10.17188/1279602.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CsSO2F by Materials Project". United States. doi:10.17188/1279602. https://www.osti.gov/servlets/purl/1279602. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1279602,
title = {Materials Data on CsSO2F by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CsSO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent F1- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.37 Å. There are a spread of Cs–F bond distances ranging from 3.31–3.62 Å. S4+ is bonded in a trigonal non-coplanar geometry to two equivalent O2- and one F1- atom. Both S–O bond lengths are 1.48 Å. The S–F bond length is 1.81 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S4+ atom. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one S4+ atom.},
doi = {10.17188/1279602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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