Materials Data on Mg3Au by Materials Project

doi:10.17188/1192688

Title: Materials Data on Mg3Au by Materials Project

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Abstract

Mg3Au crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. There are one shorter (2.84 Å) and two longer (2.90 Å) Mg–Au bond lengths. Au is bonded in a 10-coordinate geometry to ten Mg atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-17783

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; Mg3Au; Au-Mg

OSTI Identifier:: 1192688

DOI:: https://doi.org/10.17188/1192688

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                    The Materials Project. Materials Data on Mg3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192688.

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                    The Materials Project. Materials Data on Mg3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1192688

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                    The Materials Project. 2020.  
"Materials Data on Mg3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1192688.  https://www.osti.gov/servlets/purl/1192688. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1192688,

  title        = {Materials Data on Mg3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Au crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are a spread of Mg–Au bond distances ranging from 2.82–3.23 Å. In the second Mg site, Mg is bonded in a distorted trigonal non-coplanar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.73 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.76 Å. In the fourth Mg site, Mg is bonded in a distorted trigonal planar geometry to three equivalent Au atoms. There are one shorter (2.84 Å) and two longer (2.90 Å) Mg–Au bond lengths. Au is bonded in a 10-coordinate geometry to ten Mg atoms.},

  doi          = {10.17188/1192688},

  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/10.17188/1192688

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