Materials Data on Mg(ZnSb)2 by Materials Project

doi:10.17188/1742094

Title: Materials Data on Mg(ZnSb)2 by Materials Project

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Abstract

Mg(ZnSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Sb3- atoms to form MgSb6 octahedra that share corners with twelve equivalent ZnSb4 tetrahedra, edges with six equivalent MgSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Mg–Sb bond lengths are 3.05 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent MgSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent MgSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–56°. There are three shorter (2.74 Å) and one longer (2.80 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Mg2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbMg3Zn4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1210585

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; Mg(ZnSb)2; Mg-Sb-Zn

OSTI Identifier:: 1742094

DOI:: https://doi.org/10.17188/1742094

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                    The Materials Project. Materials Data on Mg(ZnSb)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742094.

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                    The Materials Project. Materials Data on Mg(ZnSb)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1742094

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                    The Materials Project. 2020.  
"Materials Data on Mg(ZnSb)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1742094.  https://www.osti.gov/servlets/purl/1742094. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1742094,

  title        = {Materials Data on Mg(ZnSb)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg(ZnSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent Sb3- atoms to form MgSb6 octahedra that share corners with twelve equivalent ZnSb4 tetrahedra, edges with six equivalent MgSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Mg–Sb bond lengths are 3.05 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent MgSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent MgSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–56°. There are three shorter (2.74 Å) and one longer (2.80 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Mg2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbMg3Zn4 pentagonal bipyramids.},

  doi          = {10.17188/1742094},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1742094

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