Materials Data on Hf2(Co7B2)3 by Materials Project

doi:10.17188/1727207

Title: Materials Data on Hf2(Co7B2)3 by Materials Project

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Abstract

Co21Hf2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Hf–Co bond lengths are 2.48 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 Hf and three equivalent B atoms to form a mixture of edge and corner-sharing CoHfB3 tetrahedra. All Co–B bond lengths are 2.07 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.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1194066

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; Hf2(Co7B2)3; B-Co-Hf

OSTI Identifier:: 1727207

DOI:: https://doi.org/10.17188/1727207

Citation Formats


                    The Materials Project. Materials Data on Hf2(Co7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727207.

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                    The Materials Project. Materials Data on Hf2(Co7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727207

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                    The Materials Project. 2020.  
"Materials Data on Hf2(Co7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727207.  https://www.osti.gov/servlets/purl/1727207. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1727207,

  title        = {Materials Data on Hf2(Co7B2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co21Hf2B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Hf–Co bond lengths are 2.48 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 Hf and three equivalent B atoms to form a mixture of edge and corner-sharing CoHfB3 tetrahedra. All Co–B bond lengths are 2.07 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          = {10.17188/1727207},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1727207

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