Materials Data on VCoSb by Materials Project

doi:10.17188/1727230

Title: Materials Data on VCoSb by Materials Project

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Abstract

CoVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V2+ is bonded to five equivalent Sb3- atoms to form VSb5 trigonal bipyramids that share corners with twelve equivalent CoSb6 octahedra, corners with eight equivalent VSb5 trigonal bipyramids, edges with six equivalent VSb5 trigonal bipyramids, and faces with six equivalent CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 27–63°. There are three shorter (2.59 Å) and two longer (2.62 Å) V–Sb bond lengths. Co1+ is bonded to six equivalent Sb3- atoms to form distorted CoSb6 octahedra that share corners with twelve equivalent CoSb6 octahedra, corners with twelve equivalent VSb5 trigonal bipyramids, edges with six equivalent CoSb6 octahedra, faces with two equivalent CoSb6 octahedra, and faces with six equivalent VSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. All Co–Sb bond lengths are 2.90 Å. Sb3- is bonded to five equivalent V2+ and six equivalent Co1+ atoms to form a mixture of distorted corner and face-sharing SbV5Co6 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216413

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; VCoSb; Co-Sb-V

OSTI Identifier:: 1727230

DOI:: https://doi.org/10.17188/1727230

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                    The Materials Project. Materials Data on VCoSb by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1727230.

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                    The Materials Project. Materials Data on VCoSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1727230

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                    The Materials Project. 2019.  
"Materials Data on VCoSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1727230.  https://www.osti.gov/servlets/purl/1727230. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1727230,

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

  author       = {The Materials Project},

  abstractNote = {CoVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V2+ is bonded to five equivalent Sb3- atoms to form VSb5 trigonal bipyramids that share corners with twelve equivalent CoSb6 octahedra, corners with eight equivalent VSb5 trigonal bipyramids, edges with six equivalent VSb5 trigonal bipyramids, and faces with six equivalent CoSb6 octahedra. The corner-sharing octahedra tilt angles range from 27–63°. There are three shorter (2.59 Å) and two longer (2.62 Å) V–Sb bond lengths. Co1+ is bonded to six equivalent Sb3- atoms to form distorted CoSb6 octahedra that share corners with twelve equivalent CoSb6 octahedra, corners with twelve equivalent VSb5 trigonal bipyramids, edges with six equivalent CoSb6 octahedra, faces with two equivalent CoSb6 octahedra, and faces with six equivalent VSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. All Co–Sb bond lengths are 2.90 Å. Sb3- is bonded to five equivalent V2+ and six equivalent Co1+ atoms to form a mixture of distorted corner and face-sharing SbV5Co6 trigonal bipyramids.},

  doi          = {10.17188/1727230},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1727230

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