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Title: Materials Data on Zr6NiCl15 by Materials Project

Abstract

Ni(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two nickel molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.17+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.57 Å) and one longer (2.66 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+2.17+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.17+ atoms.

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:
1281260
Report Number(s):
mp-653981
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; Zr6NiCl15; Cl-Ni-Zr

Citation Formats

The Materials Project. Materials Data on Zr6NiCl15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281260.
The Materials Project. Materials Data on Zr6NiCl15 by Materials Project. United States. https://doi.org/10.17188/1281260
The Materials Project. 2020. "Materials Data on Zr6NiCl15 by Materials Project". United States. https://doi.org/10.17188/1281260. https://www.osti.gov/servlets/purl/1281260.
@article{osti_1281260,
title = {Materials Data on Zr6NiCl15 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(Zr2Cl5)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two nickel molecules and two Zr2Cl5 frameworks. In each Zr2Cl5 framework, Zr+2.17+ is bonded to five Cl1- atoms to form corner-sharing ZrCl5 square pyramids. There are four shorter (2.57 Å) and one longer (2.66 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+2.17+ atoms. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Zr+2.17+ atoms.},
doi = {10.17188/1281260},
url = {https://www.osti.gov/biblio/1281260}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}