Materials Data on Yb(MgSb)2 by Materials Project

doi:10.17188/1187506

Title: Materials Data on Yb(MgSb)2 by Materials Project

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Abstract

Yb(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent YbSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent YbSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.87 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Yb2+ is bonded to six equivalent Sb3- atoms to form YbSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent YbSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Yb–Sb bond lengths are 3.26 Å. Sb3- is bonded to four equivalent Mg2+ and three equivalent Yb2+ atoms to form a mixture of distorted edge and corner-sharing SbYb3Mg4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-10996

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; Yb(MgSb)2; Mg-Sb-Yb

OSTI Identifier:: 1187506

DOI:: https://doi.org/10.17188/1187506

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                    The Materials Project. Materials Data on Yb(MgSb)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187506.

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                    The Materials Project. Materials Data on Yb(MgSb)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187506

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                    The Materials Project. 2020.  
"Materials Data on Yb(MgSb)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187506.  https://www.osti.gov/servlets/purl/1187506. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1187506,

  title        = {Materials Data on Yb(MgSb)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent YbSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent YbSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.87 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Yb2+ is bonded to six equivalent Sb3- atoms to form YbSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent YbSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Yb–Sb bond lengths are 3.26 Å. Sb3- is bonded to four equivalent Mg2+ and three equivalent Yb2+ atoms to form a mixture of distorted edge and corner-sharing SbYb3Mg4 pentagonal bipyramids.},

  doi          = {10.17188/1187506},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187506

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