Materials Data on MgCuSb by Materials Project

doi:10.17188/1206961

Title: Materials Data on MgCuSb by Materials Project

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Abstract

MgCuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Sb3- atoms to form distorted MgSb6 octahedra that share corners with six equivalent MgSb6 octahedra, corners with twelve equivalent CuSb4 tetrahedra, edges with twelve equivalent MgSb6 octahedra, and faces with four equivalent CuSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Sb bond lengths are 3.12 Å. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with twelve equivalent MgSb6 octahedra, corners with twelve equivalent CuSb4 tetrahedra, and faces with four equivalent MgSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Mg2+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-3522

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; MgCuSb; Cu-Mg-Sb

OSTI Identifier:: 1206961

DOI:: https://doi.org/10.17188/1206961

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                    The Materials Project. Materials Data on MgCuSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206961.

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                    The Materials Project. Materials Data on MgCuSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1206961

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                    The Materials Project. 2020.  
"Materials Data on MgCuSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1206961.  https://www.osti.gov/servlets/purl/1206961. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206961,

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

  author       = {The Materials Project},

  abstractNote = {MgCuSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Sb3- atoms to form distorted MgSb6 octahedra that share corners with six equivalent MgSb6 octahedra, corners with twelve equivalent CuSb4 tetrahedra, edges with twelve equivalent MgSb6 octahedra, and faces with four equivalent CuSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–Sb bond lengths are 3.12 Å. Cu1+ is bonded to four equivalent Sb3- atoms to form CuSb4 tetrahedra that share corners with twelve equivalent MgSb6 octahedra, corners with twelve equivalent CuSb4 tetrahedra, and faces with four equivalent MgSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Cu–Sb bond lengths are 2.70 Å. Sb3- is bonded in a 10-coordinate geometry to six equivalent Mg2+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1206961},

  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/10.17188/1206961

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