Materials Data on V3(Co10B3)2 by Materials Project

doi:10.17188/1685593

Title: Materials Data on V3(Co10B3)2 by Materials Project

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Abstract

V3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All V–Co bond lengths are 2.50 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All V–Co bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing CoVB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Co–B bond lengths are 2.07 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-1193521

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; V3(Co10B3)2; B-Co-V

OSTI Identifier:: 1685593

DOI:: https://doi.org/10.17188/1685593

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                    The Materials Project. Materials Data on V3(Co10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685593.

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                    The Materials Project. Materials Data on V3(Co10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685593

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                    The Materials Project. 2020.  
"Materials Data on V3(Co10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685593.  https://www.osti.gov/servlets/purl/1685593. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1685593,

  title        = {Materials Data on V3(Co10B3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All V–Co bond lengths are 2.50 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All V–Co bond lengths are 2.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing CoVB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Co–B bond lengths are 2.07 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.},

  doi          = {10.17188/1685593},

  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/10.17188/1685593

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