skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CIClF4 by Materials Project

Abstract

CIClF4 is Ammonia-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight CIClF4 clusters. C is bonded in a trigonal non-coplanar geometry to one I and three F atoms. The C–I bond length is 2.25 Å. There is one shorter (1.33 Å) and two longer (1.34 Å) C–F bond length. I is bonded in a distorted T-shaped geometry to one C, one Cl, and one F atom. The I–Cl bond length is 2.45 Å. The I–F bond length is 2.06 Å. Cl is bonded in a single-bond geometry to one I atom. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556844
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; CIClF4; C-Cl-F-I
OSTI Identifier:
1269569
DOI:
10.17188/1269569

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CIClF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269569.
Persson, Kristin, & Project, Materials. Materials Data on CIClF4 by Materials Project. United States. doi:10.17188/1269569.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CIClF4 by Materials Project". United States. doi:10.17188/1269569. https://www.osti.gov/servlets/purl/1269569. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1269569,
title = {Materials Data on CIClF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CIClF4 is Ammonia-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight CIClF4 clusters. C is bonded in a trigonal non-coplanar geometry to one I and three F atoms. The C–I bond length is 2.25 Å. There is one shorter (1.33 Å) and two longer (1.34 Å) C–F bond length. I is bonded in a distorted T-shaped geometry to one C, one Cl, and one F atom. The I–Cl bond length is 2.45 Å. The I–F bond length is 2.06 Å. Cl is bonded in a single-bond geometry to one I atom. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom.},
doi = {10.17188/1269569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: