Materials Data on V2CoSe4 by Materials Project

doi:10.17188/1711722

Title: Materials Data on V2CoSe4 by Materials Project

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Abstract

V2CoSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with six equivalent CoSe6 octahedra, edges with six equivalent VSe6 octahedra, and a faceface with one CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of V–Se bond distances ranging from 2.42–2.71 Å. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent VSe6 octahedra, edges with two equivalent CoSe6 octahedra, and faces with two equivalent VSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are two shorter (2.43 Å) and four longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Co2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-26

Other Number(s):: mp-1078200

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; V2CoSe4; Co-Se-V

OSTI Identifier:: 1711722

DOI:: https://doi.org/10.17188/1711722

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                    The Materials Project. Materials Data on V2CoSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711722.

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                    The Materials Project. Materials Data on V2CoSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711722

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                    The Materials Project. 2020.  
"Materials Data on V2CoSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711722.  https://www.osti.gov/servlets/purl/1711722. Pub date:Sun Apr 26 00:00:00 EDT 2020

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@article{osti_1711722,

  title        = {Materials Data on V2CoSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2CoSe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with six equivalent CoSe6 octahedra, edges with six equivalent VSe6 octahedra, and a faceface with one CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of V–Se bond distances ranging from 2.42–2.71 Å. Co2+ is bonded to six Se2- atoms to form CoSe6 octahedra that share corners with twelve equivalent VSe6 octahedra, edges with two equivalent CoSe6 octahedra, and faces with two equivalent VSe6 octahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are two shorter (2.43 Å) and four longer (2.48 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent V3+ and one Co2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent V3+ and two equivalent Co2+ atoms.},

  doi          = {10.17188/1711722},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1711722

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