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}
}
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