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Title: Materials Data on ClOF3 by Materials Project

Abstract

OClF3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four OClF3 clusters. In two of the OClF3 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.41 Å. Cl is bonded in a see-saw-like geometry to one O and three F atoms. There are a spread of Cl–F bond distances ranging from 1.67–1.88 Å. There are three 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 the third F site, F is bonded in a single-bond geometry to one Cl atom. In two of the OClF3 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.41 Å. Cl is bonded in a see-saw-like geometry to one O and three F atoms. There are a spread of Cl–F bond distances ranging from 1.67–1.83 Å. There are three 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, Fmore » is bonded in a single-bond geometry to one Cl atom. In the third F site, F is bonded in a single-bond geometry to one Cl atom.« less

Authors:
Publication Date:
Other Number(s):
mp-753945
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; ClOF3; Cl-F-O
OSTI Identifier:
1289189
DOI:
https://doi.org/10.17188/1289189

Citation Formats

The Materials Project. Materials Data on ClOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289189.
The Materials Project. Materials Data on ClOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1289189
The Materials Project. 2020. "Materials Data on ClOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1289189. https://www.osti.gov/servlets/purl/1289189. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1289189,
title = {Materials Data on ClOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {OClF3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four OClF3 clusters. In two of the OClF3 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.41 Å. Cl is bonded in a see-saw-like geometry to one O and three F atoms. There are a spread of Cl–F bond distances ranging from 1.67–1.88 Å. There are three 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 the third F site, F is bonded in a single-bond geometry to one Cl atom. In two of the OClF3 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.41 Å. Cl is bonded in a see-saw-like geometry to one O and three F atoms. There are a spread of Cl–F bond distances ranging from 1.67–1.83 Å. There are three 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 the third F site, F is bonded in a single-bond geometry to one Cl atom.},
doi = {10.17188/1289189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}