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Title: Materials Data on ZrCl3 by Materials Project

Abstract

ZrCl3 is Bismuth triodide-like structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one ZrCl3 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form edge-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms.

Publication Date:
Other Number(s):
mp-569391
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; ZrCl3; Cl-Zr
OSTI Identifier:
1275075
DOI:
https://doi.org/10.17188/1275075

Citation Formats

The Materials Project. Materials Data on ZrCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275075.
The Materials Project. Materials Data on ZrCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1275075
The Materials Project. 2020. "Materials Data on ZrCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1275075. https://www.osti.gov/servlets/purl/1275075. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275075,
title = {Materials Data on ZrCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCl3 is Bismuth triodide-like structured and crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one ZrCl3 sheet oriented in the (0, 0, 1) direction. Zr3+ is bonded to six equivalent Cl1- atoms to form edge-sharing ZrCl6 octahedra. All Zr–Cl bond lengths are 2.57 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Zr3+ atoms.},
doi = {10.17188/1275075},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}