Materials Data on Zr2(Co7B2)3 by Materials Project

doi:10.17188/1266274

Title: Materials Data on Zr2(Co7B2)3 by Materials Project

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Abstract

Zr2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Zr–Co bond lengths are 2.49 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.52 Å. In the second Co site, Co is bonded to one Zr and three equivalent B atoms to form a mixture of corner and edge-sharing CoZrB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

Publication Date:: Mon Jul 20 04:00:00 UTC 2020

Other Number(s):: mp-541854

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; B-Co-Zr; Zr2(Co7B2)3; crystal structure

OSTI Identifier:: 1266274

DOI:: https://doi.org/10.17188/1266274

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                    Materials Data on Zr2(Co7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266274.

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                    Materials Data on Zr2(Co7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266274

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                    2020.  
"Materials Data on Zr2(Co7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266274.  https://www.osti.gov/servlets/purl/1266274. Pub date:Mon Jul 20 04:00:00 UTC 2020

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@article{osti_1266274,

  title        = {Materials Data on Zr2(Co7B2)3 by Materials Project},

  
  abstractNote = {Zr2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Zr–Co bond lengths are 2.49 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.52 Å. In the second Co site, Co is bonded to one Zr and three equivalent B atoms to form a mixture of corner and edge-sharing CoZrB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1266274},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 04:00:00 UTC 2020},

  month        = {Mon Jul 20 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1266274

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