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

Abstract

Cl(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight Cl(OF)2 clusters. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two F atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two equivalent F atoms. Both Cl–F bond lengths are 1.84 Å. F is bonded in a single-bond geometry to one Cl atom.

Publication Date:
Other Number(s):
mp-1213787
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; Cl(OF)2; Cl-F-O
OSTI Identifier:
1710041
DOI:
https://doi.org/10.17188/1710041

Citation Formats

The Materials Project. Materials Data on Cl(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710041.
The Materials Project. Materials Data on Cl(OF)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710041
The Materials Project. 2020. "Materials Data on Cl(OF)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710041. https://www.osti.gov/servlets/purl/1710041. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710041,
title = {Materials Data on Cl(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cl(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight Cl(OF)2 clusters. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two F atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two equivalent F atoms. Both Cl–F bond lengths are 1.84 Å. F is bonded in a single-bond geometry to one Cl atom.},
doi = {10.17188/1710041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}