U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Co-Zr; Zr6CoCl15; crystal structure
- OSTI Identifier:
- 1202799
- DOI:
- https://doi.org/10.17188/1202799
Citation Formats
Materials Data on Zr6CoCl15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202799.
Materials Data on Zr6CoCl15 by Materials Project. United States. doi:https://doi.org/10.17188/1202799
2020.
"Materials Data on Zr6CoCl15 by Materials Project". United States. doi:https://doi.org/10.17188/1202799. https://www.osti.gov/servlets/purl/1202799. Pub date:Tue Jul 21 04:00:00 UTC 2020
@article{osti_1202799,
title = {Materials Data on Zr6CoCl15 by 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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