Materials Data on Mg5Te by Materials Project

doi:10.17188/1757537

Title: Materials Data on Mg5Te by Materials Project

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Abstract

Mg5Te crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Te atoms to form distorted MgMg10Te2 cuboctahedra that share corners with eighteen equivalent MgMg10Te2 cuboctahedra, edges with four equivalent TeMg12 cuboctahedra, edges with six equivalent MgMg10Te2 cuboctahedra, faces with four equivalent TeMg12 cuboctahedra, and faces with eight equivalent MgMg10Te2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.27 Å. Both Mg–Te bond lengths are 3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to six equivalent Mg and three equivalent Te atoms. All Mg–Te bond lengths are 3.22 Å. Te is bonded to twelve Mg atoms to form TeMg12 cuboctahedra that share corners with six equivalent TeMg12 cuboctahedra, edges with six equivalent TeMg12 cuboctahedra, edges with twelve equivalent MgMg10Te2 cuboctahedra, and faces with twelve equivalent MgMg10Te2 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1185828

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; Mg5Te; Mg-Te

OSTI Identifier:: 1757537

DOI:: https://doi.org/10.17188/1757537

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                    The Materials Project. Materials Data on Mg5Te by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757537.

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                    The Materials Project. Materials Data on Mg5Te by Materials Project.  United States.  doi:https://doi.org/10.17188/1757537

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                    The Materials Project. 2020.  
"Materials Data on Mg5Te by Materials Project".  United States.  doi:https://doi.org/10.17188/1757537.  https://www.osti.gov/servlets/purl/1757537. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757537,

  title        = {Materials Data on Mg5Te by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg5Te crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Te atoms to form distorted MgMg10Te2 cuboctahedra that share corners with eighteen equivalent MgMg10Te2 cuboctahedra, edges with four equivalent TeMg12 cuboctahedra, edges with six equivalent MgMg10Te2 cuboctahedra, faces with four equivalent TeMg12 cuboctahedra, and faces with eight equivalent MgMg10Te2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.19–3.27 Å. Both Mg–Te bond lengths are 3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal planar geometry to six equivalent Mg and three equivalent Te atoms. All Mg–Te bond lengths are 3.22 Å. Te is bonded to twelve Mg atoms to form TeMg12 cuboctahedra that share corners with six equivalent TeMg12 cuboctahedra, edges with six equivalent TeMg12 cuboctahedra, edges with twelve equivalent MgMg10Te2 cuboctahedra, and faces with twelve equivalent MgMg10Te2 cuboctahedra.},

  doi          = {10.17188/1757537},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757537

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