Materials Data on NbCoSb by Materials Project

doi:10.17188/1205675

Title: Materials Data on NbCoSb by Materials Project

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Abstract

NbCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Sb3- atoms to form NbSb6 octahedra that share corners with six equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, edges with twelve equivalent NbSb6 octahedra, and faces with four equivalent CoSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–Sb bond lengths are 2.99 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with twelve equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, and faces with four equivalent NbSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–Sb bond lengths are 2.59 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Nb2+ and four equivalent Co1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31460

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; NbCoSb; Co-Nb-Sb

OSTI Identifier:: 1205675

DOI:: https://doi.org/10.17188/1205675

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                    The Materials Project. Materials Data on NbCoSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205675.

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                    The Materials Project. Materials Data on NbCoSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1205675

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                    The Materials Project. 2020.  
"Materials Data on NbCoSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1205675.  https://www.osti.gov/servlets/purl/1205675. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205675,

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

  author       = {The Materials Project},

  abstractNote = {NbCoSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Sb3- atoms to form NbSb6 octahedra that share corners with six equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, edges with twelve equivalent NbSb6 octahedra, and faces with four equivalent CoSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–Sb bond lengths are 2.99 Å. Co1+ is bonded to four equivalent Sb3- atoms to form CoSb4 tetrahedra that share corners with twelve equivalent NbSb6 octahedra, corners with twelve equivalent CoSb4 tetrahedra, and faces with four equivalent NbSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–Sb bond lengths are 2.59 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Nb2+ and four equivalent Co1+ atoms.},

  doi          = {10.17188/1205675},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205675

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