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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-648774
- 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; Zr2Cl5; Cl-Zr
- OSTI Identifier:
- 1280832
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1280832
The Materials Project. 2014.
"Materials Data on Zr2Cl5 by Materials Project". United States. doi:https://doi.org/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 = {Mon Feb 24 00:00:00 EST 2014},
month = {Mon Feb 24 00:00:00 EST 2014}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.