Materials Data on CoSi4Ni by Materials Project

doi:10.17188/1662363

Title: Materials Data on CoSi4Ni by Materials Project

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Abstract

CoNiSi4 is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are two shorter (2.30 Å) and six longer (2.32 Å) Co–Si bond lengths. Ni4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are six shorter (2.35 Å) and two longer (2.37 Å) Ni–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded to three equivalent Co4+, one Ni4+, and six Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCo3Si6Ni tetrahedra. There are three shorter (2.66 Å) and three longer (2.70 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded to one Co4+, three equivalent Ni4+, and three equivalent Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCoSi3Ni3 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1226006

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; CoSi4Ni; Co-Ni-Si

OSTI Identifier:: 1662363

DOI:: https://doi.org/10.17188/1662363

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                    The Materials Project. Materials Data on CoSi4Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662363.

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                    The Materials Project. Materials Data on CoSi4Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1662363

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                    The Materials Project. 2020.  
"Materials Data on CoSi4Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1662363.  https://www.osti.gov/servlets/purl/1662363. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1662363,

  title        = {Materials Data on CoSi4Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoNiSi4 is half-Heusler-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are two shorter (2.30 Å) and six longer (2.32 Å) Co–Si bond lengths. Ni4+ is bonded in a body-centered cubic geometry to eight Si2- atoms. There are six shorter (2.35 Å) and two longer (2.37 Å) Ni–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded to three equivalent Co4+, one Ni4+, and six Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCo3Si6Ni tetrahedra. There are three shorter (2.66 Å) and three longer (2.70 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded to one Co4+, three equivalent Ni4+, and three equivalent Si2- atoms to form a mixture of distorted edge, face, and corner-sharing SiCoSi3Ni3 tetrahedra.},

  doi          = {10.17188/1662363},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662363

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