Materials Data on CoSI by Materials Project

doi:10.17188/1662526

Title: Materials Data on CoSI by Materials Project

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Abstract

CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Co3+ is bonded in a body-centered cubic geometry to four equivalent S2- and four equivalent I1- atoms. All Co–S bond lengths are 2.72 Å. All Co–I bond lengths are 2.72 Å. S2- is bonded to four equivalent Co3+ atoms to form SCo4 tetrahedra that share corners with four equivalent ICo4 tetrahedra, corners with twelve equivalent SCo4 tetrahedra, and edges with six equivalent ICo4 tetrahedra. I1- is bonded to four equivalent Co3+ atoms to form ICo4 tetrahedra that share corners with four equivalent SCo4 tetrahedra, corners with twelve equivalent ICo4 tetrahedra, and edges with six equivalent SCo4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1062795

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; CoSI; Co-I-S

OSTI Identifier:: 1662526

DOI:: https://doi.org/10.17188/1662526

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                    The Materials Project. Materials Data on CoSI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662526.

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                    The Materials Project. Materials Data on CoSI by Materials Project.  United States.  doi:https://doi.org/10.17188/1662526

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                    The Materials Project. 2020.  
"Materials Data on CoSI by Materials Project".  United States.  doi:https://doi.org/10.17188/1662526.  https://www.osti.gov/servlets/purl/1662526. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1662526,

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

  author       = {The Materials Project},

  abstractNote = {CoSI is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Co3+ is bonded in a body-centered cubic geometry to four equivalent S2- and four equivalent I1- atoms. All Co–S bond lengths are 2.72 Å. All Co–I bond lengths are 2.72 Å. S2- is bonded to four equivalent Co3+ atoms to form SCo4 tetrahedra that share corners with four equivalent ICo4 tetrahedra, corners with twelve equivalent SCo4 tetrahedra, and edges with six equivalent ICo4 tetrahedra. I1- is bonded to four equivalent Co3+ atoms to form ICo4 tetrahedra that share corners with four equivalent SCo4 tetrahedra, corners with twelve equivalent ICo4 tetrahedra, and edges with six equivalent SCo4 tetrahedra.},

  doi          = {10.17188/1662526},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662526

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