Materials Data on Mg3Sb by Materials Project

doi:10.17188/1681977

Title: Materials Data on Mg3Sb by Materials Project

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Abstract

Mg3Sb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted square co-planar geometry to eight equivalent Mg and four equivalent Sb atoms. All Mg–Mg bond lengths are 3.24 Å. All Mg–Sb bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sb atoms to form distorted MgMg8Sb4 cuboctahedra that share corners with twelve equivalent MgMg8Sb4 cuboctahedra, edges with eight equivalent MgMg8Sb4 cuboctahedra, edges with eight equivalent SbMg12 cuboctahedra, faces with four equivalent SbMg12 cuboctahedra, and faces with ten equivalent MgMg8Sb4 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–Sb bond lengths are 3.24 Å. Sb is bonded to twelve Mg atoms to form SbMg12 cuboctahedra that share corners with four equivalent SbMg12 cuboctahedra, edges with eight equivalent SbMg12 cuboctahedra, edges with sixteen equivalent MgMg8Sb4 cuboctahedra, faces with four equivalent SbMg12 cuboctahedra, and faces with eight equivalent MgMg8Sb4 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1094551

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; Mg3Sb; Mg-Sb

OSTI Identifier:: 1681977

DOI:: https://doi.org/10.17188/1681977

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                    The Materials Project. Materials Data on Mg3Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681977.

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                    The Materials Project. Materials Data on Mg3Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1681977

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                    The Materials Project. 2020.  
"Materials Data on Mg3Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1681977.  https://www.osti.gov/servlets/purl/1681977. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681977,

  title        = {Materials Data on Mg3Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Sb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted square co-planar geometry to eight equivalent Mg and four equivalent Sb atoms. All Mg–Mg bond lengths are 3.24 Å. All Mg–Sb bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sb atoms to form distorted MgMg8Sb4 cuboctahedra that share corners with twelve equivalent MgMg8Sb4 cuboctahedra, edges with eight equivalent MgMg8Sb4 cuboctahedra, edges with eight equivalent SbMg12 cuboctahedra, faces with four equivalent SbMg12 cuboctahedra, and faces with ten equivalent MgMg8Sb4 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–Sb bond lengths are 3.24 Å. Sb is bonded to twelve Mg atoms to form SbMg12 cuboctahedra that share corners with four equivalent SbMg12 cuboctahedra, edges with eight equivalent SbMg12 cuboctahedra, edges with sixteen equivalent MgMg8Sb4 cuboctahedra, faces with four equivalent SbMg12 cuboctahedra, and faces with eight equivalent MgMg8Sb4 cuboctahedra.},

  doi          = {10.17188/1681977},

  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/10.17188/1681977

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