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Title: 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; 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; CIF7; C-F-I
OSTI Identifier:
1203784
DOI:
10.17188/1203784

Citation Formats

The Materials Project. Materials Data on CIF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203784.
The Materials Project. Materials Data on CIF7 by Materials Project. United States. doi:10.17188/1203784.
The Materials Project. 2020. "Materials Data on CIF7 by Materials Project". United States. doi:10.17188/1203784. https://www.osti.gov/servlets/purl/1203784. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1203784,
title = {Materials Data on CIF7 by Materials Project},
author = {The 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 = {2020},
month = {7}
}

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