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Title: Materials Data on CsS2(O3F)2 by Materials Project

Abstract

CsS2(O3F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to ten O and two equivalent F atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.71 Å. Both Cs–F bond lengths are 3.47 Å. S is bonded in a tetrahedral geometry to three O and one F atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.61 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one S atom. F is bonded in a single-bond geometry to one Cs and one S atom.

Authors:
Publication Date:
Other Number(s):
mp-1191332
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; CsS2(O3F)2; Cs-F-O-S
OSTI Identifier:
1689621
DOI:
https://doi.org/10.17188/1689621

Citation Formats

The Materials Project. Materials Data on CsS2(O3F)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689621.
The Materials Project. Materials Data on CsS2(O3F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1689621
The Materials Project. 2019. "Materials Data on CsS2(O3F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1689621. https://www.osti.gov/servlets/purl/1689621. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1689621,
title = {Materials Data on CsS2(O3F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsS2(O3F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to ten O and two equivalent F atoms. There are a spread of Cs–O bond distances ranging from 3.15–3.71 Å. Both Cs–F bond lengths are 3.47 Å. S is bonded in a tetrahedral geometry to three O and one F atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.61 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one S atom. In the third O site, O is bonded in a single-bond geometry to one Cs and one S atom. F is bonded in a single-bond geometry to one Cs and one S atom.},
doi = {10.17188/1689621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}