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Title: Materials Data on IF7 by Materials Project

Abstract

IF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one fluorine molecule, one IF5 cluster, and one IF7 cluster. In the IF5 cluster, I is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of I–F bond distances ranging from 1.86–1.98 Å. There are five 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 I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF7 cluster, I is bonded in a 5-coordinate geometry to six F atoms. There are a spread of I–F bond distances ranging from 1.87–2.56 Å. There are seven 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-bondmore » geometry to one I atom. In the third F site, F is bonded in a single-bond geometry to one F atom. The F–F bond length is 1.54 Å. In the fourth F site, F is bonded in a bent 150 degrees geometry to one I and one F atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the sixth F site, F is bonded in a single-bond geometry to one I atom. In the seventh F site, F is bonded in a single-bond geometry to one I atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-685157
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; IF7; F-I
OSTI Identifier:
1284118
DOI:
10.17188/1284118

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on IF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284118.
Persson, Kristin, & Project, Materials. Materials Data on IF7 by Materials Project. United States. doi:10.17188/1284118.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on IF7 by Materials Project". United States. doi:10.17188/1284118. https://www.osti.gov/servlets/purl/1284118. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1284118,
title = {Materials Data on IF7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {IF7 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one fluorine molecule, one IF5 cluster, and one IF7 cluster. In the IF5 cluster, I is bonded in a distorted square pyramidal geometry to five F atoms. There are a spread of I–F bond distances ranging from 1.86–1.98 Å. There are five 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 I atom. In the third F site, F is bonded in a single-bond geometry to one I atom. In the fourth F site, F is bonded in a single-bond geometry to one I atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the IF7 cluster, I is bonded in a 5-coordinate geometry to six F atoms. There are a spread of I–F bond distances ranging from 1.87–2.56 Å. There are seven 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 I atom. In the third F site, F is bonded in a single-bond geometry to one F atom. The F–F bond length is 1.54 Å. In the fourth F site, F is bonded in a bent 150 degrees geometry to one I and one F atom. In the fifth F site, F is bonded in a single-bond geometry to one I atom. In the sixth F site, F is bonded in a single-bond geometry to one I atom. In the seventh F site, F is bonded in a single-bond geometry to one I atom.},
doi = {10.17188/1284118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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