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Title: Materials Data on HfCl4 by Materials Project

Abstract

HfCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one HfCl4 ribbon oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Cl1- atoms to form edge-sharing HfCl6 octahedra. There are a spread of Hf–Cl bond distances ranging from 2.32–2.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hf4+ atom.

Publication Date:
Other Number(s):
mp-29422
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; HfCl4; Cl-Hf
OSTI Identifier:
1203823
DOI:
10.17188/1203823

Citation Formats

The Materials Project. Materials Data on HfCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203823.
The Materials Project. Materials Data on HfCl4 by Materials Project. United States. doi:10.17188/1203823.
The Materials Project. 2020. "Materials Data on HfCl4 by Materials Project". United States. doi:10.17188/1203823. https://www.osti.gov/servlets/purl/1203823. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203823,
title = {Materials Data on HfCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {HfCl4 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of one HfCl4 ribbon oriented in the (1, 0, 0) direction. Hf4+ is bonded to six Cl1- atoms to form edge-sharing HfCl6 octahedra. There are a spread of Hf–Cl bond distances ranging from 2.32–2.66 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Hf4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Hf4+ atom.},
doi = {10.17188/1203823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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