Materials Data on Mg5Pd2 by Materials Project

doi:10.17188/1199886

Title: Materials Data on Mg5Pd2 by Materials Project

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Abstract

Mg5Pd2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Pd atoms. There are a spread of Mg–Pd bond distances ranging from 2.63–2.99 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (2.80 Å) and one longer (3.09 Å) Mg–Pd bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.76 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Mg atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-2406

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; Mg5Pd2; Mg-Pd

OSTI Identifier:: 1199886

DOI:: https://doi.org/10.17188/1199886

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                    The Materials Project. Materials Data on Mg5Pd2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199886.

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                    The Materials Project. Materials Data on Mg5Pd2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199886

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                    The Materials Project. 2020.  
"Materials Data on Mg5Pd2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199886.  https://www.osti.gov/servlets/purl/1199886. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199886,

  title        = {Materials Data on Mg5Pd2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg5Pd2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to four Pd atoms. There are a spread of Mg–Pd bond distances ranging from 2.63–2.99 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Pd atoms. There are two shorter (2.80 Å) and one longer (3.09 Å) Mg–Pd bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mg–Pd bond lengths are 2.76 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to ten Mg atoms. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine Mg atoms.},

  doi          = {10.17188/1199886},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1199886

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