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Title: Materials Data on HfI4 by Materials Project

Abstract

HfI4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hafnium iodide molecules. Hf4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.67 Å) and three longer (2.68 Å) Hf–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-567273
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; HfI4; Hf-I
OSTI Identifier:
1273781
DOI:
https://doi.org/10.17188/1273781

Citation Formats

The Materials Project. Materials Data on HfI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273781.
The Materials Project. Materials Data on HfI4 by Materials Project. United States. doi:https://doi.org/10.17188/1273781
The Materials Project. 2020. "Materials Data on HfI4 by Materials Project". United States. doi:https://doi.org/10.17188/1273781. https://www.osti.gov/servlets/purl/1273781. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1273781,
title = {Materials Data on HfI4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfI4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight hafnium iodide molecules. Hf4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.67 Å) and three longer (2.68 Å) Hf–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom.},
doi = {10.17188/1273781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}