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Title: Materials Data on CsC(OF)2 by Materials Project

Abstract

CsC(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six equivalent O and four F atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.25 Å. There are a spread of Cs–F bond distances ranging from 3.17–3.40 Å. C is bonded in a tetrahedral geometry to two equivalent O and two F atoms. Both C–O bond lengths are 1.31 Å. There is one shorter (1.45 Å) and one longer (1.47 Å) C–F bond length. O is bonded in a single-bond geometry to three equivalent Cs and one C atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cs and one C atom. In the second F site, F is bonded in a single-bond geometry to three equivalent Cs and one C atom.

Publication Date:
Other Number(s):
mp-1213690
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; CsC(OF)2; C-Cs-F-O
OSTI Identifier:
1685524
DOI:
https://doi.org/10.17188/1685524

Citation Formats

The Materials Project. Materials Data on CsC(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685524.
The Materials Project. Materials Data on CsC(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685524
The Materials Project. 2020. "Materials Data on CsC(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685524. https://www.osti.gov/servlets/purl/1685524. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685524,
title = {Materials Data on CsC(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsC(OF)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to six equivalent O and four F atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.25 Å. There are a spread of Cs–F bond distances ranging from 3.17–3.40 Å. C is bonded in a tetrahedral geometry to two equivalent O and two F atoms. Both C–O bond lengths are 1.31 Å. There is one shorter (1.45 Å) and one longer (1.47 Å) C–F bond length. O is bonded in a single-bond geometry to three equivalent Cs and one C atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cs and one C atom. In the second F site, F is bonded in a single-bond geometry to three equivalent Cs and one C atom.},
doi = {10.17188/1685524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}