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.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-1192799

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(Ni10B3)2; B-Ni-V

OSTI Identifier:: 1656396

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

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

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

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                    The Materials Project. 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},

  author       = {The 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         = {2020},

  month        = {7}

}

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

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