Materials Data on Ti2(Co7B2)3 by Materials Project

doi:10.17188/1653870

Title: Materials Data on Ti2(Co7B2)3 by Materials Project

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Abstract

Ti2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.39 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 2.50 Å. In the second Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 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 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

Publication Date:: Wed Jun 24 04:00:00 UTC 2020

Other Number(s):: mp-1193707

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-Ti; Ti2(Co7B2)3; crystal structure

OSTI Identifier:: 1653870

DOI:: https://doi.org/10.17188/1653870

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                    Materials Data on Ti2(Co7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653870.

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                    Materials Data on Ti2(Co7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653870

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                    2020.  
"Materials Data on Ti2(Co7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653870.  https://www.osti.gov/servlets/purl/1653870. Pub date:Wed Jun 24 04:00:00 UTC 2020

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@article{osti_1653870,

  title        = {Materials Data on Ti2(Co7B2)3 by Materials Project},

  
  abstractNote = {Ti2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.39 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 2.50 Å. In the second Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 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 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1653870},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 24 04:00:00 UTC 2020},

  month        = {Wed Jun 24 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1653870

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