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Title: Materials Data on Zr2Cl5 by Materials Project

Abstract

Zr2Cl5 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zr+2.50+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.63 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.50+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Zr+2.50+ atoms.

Publication Date:
Other Number(s):
mp-648774
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; Zr2Cl5; Cl-Zr
OSTI Identifier:
1280832
DOI:
10.17188/1280832

Citation Formats

The Materials Project. Materials Data on Zr2Cl5 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1280832.
The Materials Project. Materials Data on Zr2Cl5 by Materials Project. United States. doi:10.17188/1280832.
The Materials Project. 2014. "Materials Data on Zr2Cl5 by Materials Project". United States. doi:10.17188/1280832. https://www.osti.gov/servlets/purl/1280832. Pub date:Mon Feb 24 00:00:00 EST 2014
@article{osti_1280832,
title = {Materials Data on Zr2Cl5 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2Cl5 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zr+2.50+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are a spread of Zr–Cl bond distances ranging from 2.54–2.63 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.50+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.50+ atoms. In the third Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two equivalent Zr+2.50+ atoms.},
doi = {10.17188/1280832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}

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