Materials Data on CrNiSb by Materials Project

doi:10.17188/1350180

Title: Materials Data on CrNiSb by Materials Project

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Abstract

NiCrSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Sb3- atoms to form distorted CrSb6 octahedra that share corners with six equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent CrSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–Sb bond lengths are 2.95 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent CrSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Cr2+ and four equivalent Ni1+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-1018161

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; CrNiSb; Cr-Ni-Sb

OSTI Identifier:: 1350180

DOI:: https://doi.org/10.17188/1350180

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                    The Materials Project. Materials Data on CrNiSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350180.

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                    The Materials Project. Materials Data on CrNiSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1350180

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                    The Materials Project. 2020.  
"Materials Data on CrNiSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1350180.  https://www.osti.gov/servlets/purl/1350180. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1350180,

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

  author       = {The Materials Project},

  abstractNote = {NiCrSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr2+ is bonded to six equivalent Sb3- atoms to form distorted CrSb6 octahedra that share corners with six equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, edges with twelve equivalent CrSb6 octahedra, and faces with four equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–Sb bond lengths are 2.95 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent CrSb6 octahedra, corners with twelve equivalent NiSb4 tetrahedra, and faces with four equivalent CrSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.56 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Cr2+ and four equivalent Ni1+ atoms.},

  doi          = {10.17188/1350180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350180

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