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Title: Materials Data on ZrFeCl6 by Materials Project

Abstract

ZrFeCl6 is Aluminum trichloride-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ZrFeCl6 sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent Cl1- atoms to form ZrCl6 octahedra that share edges with three equivalent FeCl6 octahedra. All Zr–Cl bond lengths are 2.50 Å. Fe2+ is bonded to six equivalent Cl1- atoms to form FeCl6 octahedra that share edges with three equivalent ZrCl6 octahedra. All Fe–Cl bond lengths are 2.48 Å. Cl1- is bonded in an L-shaped geometry to one Zr4+ and one Fe2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1202339
Report Number(s):
mp-28208
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; ZrFeCl6; Cl-Fe-Zr

Citation Formats

The Materials Project. Materials Data on ZrFeCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202339.
The Materials Project. Materials Data on ZrFeCl6 by Materials Project. United States. https://doi.org/10.17188/1202339
The Materials Project. 2020. "Materials Data on ZrFeCl6 by Materials Project". United States. https://doi.org/10.17188/1202339. https://www.osti.gov/servlets/purl/1202339.
@article{osti_1202339,
title = {Materials Data on ZrFeCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrFeCl6 is Aluminum trichloride-derived structured and crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ZrFeCl6 sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent Cl1- atoms to form ZrCl6 octahedra that share edges with three equivalent FeCl6 octahedra. All Zr–Cl bond lengths are 2.50 Å. Fe2+ is bonded to six equivalent Cl1- atoms to form FeCl6 octahedra that share edges with three equivalent ZrCl6 octahedra. All Fe–Cl bond lengths are 2.48 Å. Cl1- is bonded in an L-shaped geometry to one Zr4+ and one Fe2+ atom.},
doi = {10.17188/1202339},
url = {https://www.osti.gov/biblio/1202339}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}