Materials Data on Zr6CoCl15 by Materials Project

doi:10.17188/1202799

Title: Materials Data on Zr6CoCl15 by Materials Project

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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.

Authors:: The Materials Project

Publication Date:: 2020-07-21

Other Number(s):: mp-28734

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; Zr6CoCl15; Cl-Co-Zr

OSTI Identifier:: 1202799

DOI:: https://doi.org/10.17188/1202799

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                    The Materials Project. Materials Data on Zr6CoCl15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202799.

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                    The Materials Project. Materials Data on Zr6CoCl15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202799

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                    The Materials Project. 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 00:00:00 EDT 2020

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@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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DOI: https://doi.org/10.17188/1202799

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