Materials Data on Ti3(Co10B3)2 by Materials Project

doi:10.17188/1747862

Title: Materials Data on Ti3(Co10B3)2 by Materials Project

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Abstract

Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first 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 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

Publication Date:: 2020-06-04

Other Number(s):: mp-1193476

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; Ti3(Co10B3)2; crystal structure

OSTI Identifier:: 1747862

DOI:: https://doi.org/10.17188/1747862

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                    Materials Data on Ti3(Co10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747862.

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                    Materials Data on Ti3(Co10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747862

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                    2020.  
"Materials Data on Ti3(Co10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747862.  https://www.osti.gov/servlets/purl/1747862. Pub date:Thu Jun 04 04:00:00 UTC 2020

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@article{osti_1747862,

  title        = {Materials Data on Ti3(Co10B3)2 by Materials Project},

  
  abstractNote = {Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first 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 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1747862},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1747862

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