DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZrCl2 by Materials Project

Abstract

ZrCl2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ZrCl2 sheets oriented in the (0, 0, 1) direction. Zr2+ is bonded to six equivalent Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. All Zr–Cl bond lengths are 2.62 Å. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23162
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; ZrCl2; Cl-Zr
OSTI Identifier:
1199283
DOI:
https://doi.org/10.17188/1199283

Citation Formats

The Materials Project. Materials Data on ZrCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199283.
The Materials Project. Materials Data on ZrCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1199283
The Materials Project. 2020. "Materials Data on ZrCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1199283. https://www.osti.gov/servlets/purl/1199283. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1199283,
title = {Materials Data on ZrCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCl2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three ZrCl2 sheets oriented in the (0, 0, 1) direction. Zr2+ is bonded to six equivalent Cl1- atoms to form distorted edge-sharing ZrCl6 pentagonal pyramids. All Zr–Cl bond lengths are 2.62 Å. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr2+ atoms.},
doi = {10.17188/1199283},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}