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Title: Materials Data on Zr6CoCl15 by Materials Project

Abstract

Co(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two cobalt molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.33+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.56 Å) and one longer (2.72 Å) Zr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.33+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.33+ atoms.

Publication Date:
Other Number(s):
mp-28734
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; Zr6CoCl15; Cl-Co-Zr
OSTI Identifier:
1202799
DOI:
10.17188/1202799

Citation Formats

The Materials Project. Materials Data on Zr6CoCl15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202799.
The Materials Project. Materials Data on Zr6CoCl15 by Materials Project. United States. doi:10.17188/1202799.
The Materials Project. 2020. "Materials Data on Zr6CoCl15 by Materials Project". United States. doi:10.17188/1202799. https://www.osti.gov/servlets/purl/1202799. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1202799,
title = {Materials Data on Zr6CoCl15 by Materials Project},
author = {The Materials Project},
abstractNote = {Co(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two cobalt molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.33+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.56 Å) and one longer (2.72 Å) Zr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Zr+2.33+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.33+ atoms.},
doi = {10.17188/1202799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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