Materials Data on Co3Se4 by Materials Project

doi:10.17188/1195574

Title: Materials Data on Co3Se4 by Materials Project

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Abstract

Co3Se4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to four equivalent Se2- atoms to form corner-sharing CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Co–Se bond lengths are 2.26 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with six equivalent CoSe4 tetrahedra and edges with six equivalent CoSe6 octahedra. All Co–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-20456

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; Co3Se4; Co-Se

OSTI Identifier:: 1195574

DOI:: https://doi.org/10.17188/1195574

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                    The Materials Project. Materials Data on Co3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195574.

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                    The Materials Project. Materials Data on Co3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195574

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                    The Materials Project. 2020.  
"Materials Data on Co3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195574.  https://www.osti.gov/servlets/purl/1195574. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1195574,

  title        = {Materials Data on Co3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3Se4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to four equivalent Se2- atoms to form corner-sharing CoSe4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Co–Se bond lengths are 2.26 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six equivalent Se2- atoms to form CoSe6 octahedra that share corners with six equivalent CoSe4 tetrahedra and edges with six equivalent CoSe6 octahedra. All Co–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms.},

  doi          = {10.17188/1195574},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195574

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