Materials Data on V3(Ni10B3)2 by Materials Project

doi:10.17188/1656396

Title: Materials Data on V3(Ni10B3)2 by Materials Project

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Abstract

V3(Ni10B3)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 Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-1192799

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-Ni-V; V3(Ni10B3)2; crystal structure

OSTI Identifier:: 1656396

DOI:: https://doi.org/10.17188/1656396

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                    Materials Data on V3(Ni10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656396.

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                    Materials Data on V3(Ni10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656396

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                    2020.  
"Materials Data on V3(Ni10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656396.  https://www.osti.gov/servlets/purl/1656396. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1656396,

  title        = {Materials Data on V3(Ni10B3)2 by Materials Project},

  
  abstractNote = {V3(Ni10B3)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 Ni atoms. All V–Ni bond lengths are 2.51 Å. In the second V site, V is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All V–Ni bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one V and three equivalent B atoms to form a mixture of edge and corner-sharing NiVB3 tetrahedra. All Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one V and two equivalent B atoms. Both Ni–B bond lengths are 2.05 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1656396},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1656396

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