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Title: Materials Data on HfI4 by Materials Project

Abstract

HfI4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two HfI4 ribbons oriented in the (0, 0, 1) direction. Hf4+ is bonded to six I1- atoms to form edge-sharing HfI6 octahedra. There are a spread of Hf–I bond distances ranging from 2.71–3.05 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom.

Publication Date:
Other Number(s):
mp-569059
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; HfI4; Hf-I
OSTI Identifier:
1274915
DOI:
https://doi.org/10.17188/1274915

Citation Formats

The Materials Project. Materials Data on HfI4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1274915.
The Materials Project. Materials Data on HfI4 by Materials Project. United States. doi:https://doi.org/10.17188/1274915
The Materials Project. 2017. "Materials Data on HfI4 by Materials Project". United States. doi:https://doi.org/10.17188/1274915. https://www.osti.gov/servlets/purl/1274915. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1274915,
title = {Materials Data on HfI4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfI4 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two HfI4 ribbons oriented in the (0, 0, 1) direction. Hf4+ is bonded to six I1- atoms to form edge-sharing HfI6 octahedra. There are a spread of Hf–I bond distances ranging from 2.71–3.05 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Hf4+ atom.},
doi = {10.17188/1274915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}