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 »
- 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}
}