Materials Data on Ga2(Co7B2)3 by Materials Project

doi:10.17188/1757471

Title: Materials Data on Ga2(Co7B2)3 by Materials Project

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Abstract

Ga2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. 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 2.49 Å. In the second Co site, Co is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing CoGaB3 tetrahedra. The Co–Ga bond length is 2.40 Å. All Co–B bond lengths are 2.06 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. Ga is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. B is bonded in a 8-coordinate geometry to eight Co atoms.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1194289

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; Ga2(Co7B2)3; B-Co-Ga

OSTI Identifier:: 1757471

DOI:: https://doi.org/10.17188/1757471

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                    The Materials Project. Materials Data on Ga2(Co7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757471.

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                    The Materials Project. Materials Data on Ga2(Co7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757471

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                    The Materials Project. 2020.  
"Materials Data on Ga2(Co7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757471.  https://www.osti.gov/servlets/purl/1757471. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757471,

  title        = {Materials Data on Ga2(Co7B2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. 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 2.49 Å. In the second Co site, Co is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing CoGaB3 tetrahedra. The Co–Ga bond length is 2.40 Å. All Co–B bond lengths are 2.06 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. Ga is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1757471},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757471

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