Materials Data on ClF5 by Materials Project
Abstract
ClF5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four ClF5 clusters. Cl is bonded in a square pyramidal geometry to five F atoms. There are a spread of Cl–F bond distances ranging from 1.63–1.75 Å. There are four 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 the fourth F site, F is bonded in a single-bond geometry to one Cl atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1213763
- 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; ClF5; Cl-F
- OSTI Identifier:
- 1652918
- DOI:
- https://doi.org/10.17188/1652918
Citation Formats
The Materials Project. Materials Data on ClF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652918.
The Materials Project. Materials Data on ClF5 by Materials Project. United States. doi:https://doi.org/10.17188/1652918
The Materials Project. 2020.
"Materials Data on ClF5 by Materials Project". United States. doi:https://doi.org/10.17188/1652918. https://www.osti.gov/servlets/purl/1652918. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1652918,
title = {Materials Data on ClF5 by Materials Project},
author = {The Materials Project},
abstractNote = {ClF5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four ClF5 clusters. Cl is bonded in a square pyramidal geometry to five F atoms. There are a spread of Cl–F bond distances ranging from 1.63–1.75 Å. There are four 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 the fourth F site, F is bonded in a single-bond geometry to one Cl atom.},
doi = {10.17188/1652918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}
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