Materials Data on V2NiSb2 by Materials Project

doi:10.17188/1732590

Title: Materials Data on V2NiSb2 by Materials Project

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Abstract

V2NiSb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V2+ is bonded to six Sb3- atoms to form distorted VSb6 octahedra that share corners with twelve equivalent VSb6 octahedra, corners with six equivalent NiSb5 trigonal bipyramids, edges with six equivalent VSb6 octahedra, faces with two equivalent VSb6 octahedra, and faces with three equivalent NiSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.80 Å) and three longer (2.86 Å) V–Sb bond lengths. Ni2+ is bonded to five Sb3- atoms to form NiSb5 trigonal bipyramids that share corners with twelve equivalent VSb6 octahedra, corners with eight equivalent NiSb5 trigonal bipyramids, and faces with six equivalent VSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–62°. There are three shorter (2.48 Å) and two longer (2.73 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent V2+ and two equivalent Ni2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six equivalent V2+ and three equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216549

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; V2NiSb2; Ni-Sb-V

OSTI Identifier:: 1732590

DOI:: https://doi.org/10.17188/1732590

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                    The Materials Project. Materials Data on V2NiSb2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1732590.

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                    The Materials Project. Materials Data on V2NiSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732590

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                    The Materials Project. 2019.  
"Materials Data on V2NiSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732590.  https://www.osti.gov/servlets/purl/1732590. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1732590,

  title        = {Materials Data on V2NiSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2NiSb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. V2+ is bonded to six Sb3- atoms to form distorted VSb6 octahedra that share corners with twelve equivalent VSb6 octahedra, corners with six equivalent NiSb5 trigonal bipyramids, edges with six equivalent VSb6 octahedra, faces with two equivalent VSb6 octahedra, and faces with three equivalent NiSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.80 Å) and three longer (2.86 Å) V–Sb bond lengths. Ni2+ is bonded to five Sb3- atoms to form NiSb5 trigonal bipyramids that share corners with twelve equivalent VSb6 octahedra, corners with eight equivalent NiSb5 trigonal bipyramids, and faces with six equivalent VSb6 octahedra. The corner-sharing octahedra tilt angles range from 30–62°. There are three shorter (2.48 Å) and two longer (2.73 Å) Ni–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent V2+ and two equivalent Ni2+ atoms. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to six equivalent V2+ and three equivalent Ni2+ atoms.},

  doi          = {10.17188/1732590},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1732590

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