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Title: Materials Data on IF3 by Materials Project

Abstract

IF3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four IF3 clusters. I is bonded in a T-shaped geometry to three F atoms. There is one shorter (1.91 Å) and two longer (2.02 Å) I–F bond length. There are two 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.

Authors:
Publication Date:
Other Number(s):
mp-29848
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; IF3; F-I
OSTI Identifier:
1204296
DOI:
https://doi.org/10.17188/1204296

Citation Formats

The Materials Project. Materials Data on IF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204296.
The Materials Project. Materials Data on IF3 by Materials Project. United States. doi:https://doi.org/10.17188/1204296
The Materials Project. 2020. "Materials Data on IF3 by Materials Project". United States. doi:https://doi.org/10.17188/1204296. https://www.osti.gov/servlets/purl/1204296. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204296,
title = {Materials Data on IF3 by Materials Project},
author = {The Materials Project},
abstractNote = {IF3 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four IF3 clusters. I is bonded in a T-shaped geometry to three F atoms. There is one shorter (1.91 Å) and two longer (2.02 Å) I–F bond length. There are two 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.},
doi = {10.17188/1204296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}