U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CIF7 by Materials Project
Abstract
CF3IF4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four IF4 clusters. In each IF4 cluster, I5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of I–F bond distances ranging from 1.95–1.97 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.
- Publication Date:
- Other Number(s):
- mp-29409
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-F-I; CIF7; crystal structure
- OSTI Identifier:
- 1203784
- DOI:
- https://doi.org/10.17188/1203784
Citation Formats
Materials Data on CIF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203784.
Materials Data on CIF7 by Materials Project. United States. doi:https://doi.org/10.17188/1203784
2020.
"Materials Data on CIF7 by Materials Project". United States. doi:https://doi.org/10.17188/1203784. https://www.osti.gov/servlets/purl/1203784. Pub date:Tue Jul 21 04:00:00 UTC 2020
@article{osti_1203784,
title = {Materials Data on CIF7 by Materials Project},
abstractNote = {CF3IF4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four IF4 clusters. In each IF4 cluster, I5+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of I–F bond distances ranging from 1.95–1.97 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one I5+ atom.},
doi = {10.17188/1203784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 21 04:00:00 UTC 2020},
month = {Tue Jul 21 04:00:00 UTC 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.