Materials Data on BaMg2 by Materials Project

doi:10.17188/1194356

Title: Materials Data on BaMg2 by Materials Project

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Abstract

Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Mg atoms. There are a spread of Ba–Mg bond distances ranging from 3.85–3.92 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ba and six equivalent Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å. In the second Mg site, Mg is bonded to six equivalent Ba and six Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å.

Authors:: The Materials Project

Publication Date:: 2017-07-18

Other Number(s):: mp-1935

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; BaMg2; Ba-Mg

OSTI Identifier:: 1194356

DOI:: https://doi.org/10.17188/1194356

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                    The Materials Project. Materials Data on BaMg2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1194356.

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                    The Materials Project. Materials Data on BaMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194356

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                    The Materials Project. 2017.  
"Materials Data on BaMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194356.  https://www.osti.gov/servlets/purl/1194356. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1194356,

  title        = {Materials Data on BaMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Mg atoms. There are a spread of Ba–Mg bond distances ranging from 3.85–3.92 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ba and six equivalent Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å. In the second Mg site, Mg is bonded to six equivalent Ba and six Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å.},

  doi          = {10.17188/1194356},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1194356

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