Materials Data on Mg5(Si8Pd5)2 by Materials Project

doi:10.17188/1279528

Title: Materials Data on Mg5(Si8Pd5)2 by Materials Project

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Abstract

(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-634984

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; Mg5(Si8Pd5)2; Mg-Pd-Si

OSTI Identifier:: 1279528

DOI:: https://doi.org/10.17188/1279528

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                    The Materials Project. Materials Data on Mg5(Si8Pd5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279528.

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                    The Materials Project. Materials Data on Mg5(Si8Pd5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279528

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                    The Materials Project. 2020.  
"Materials Data on Mg5(Si8Pd5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279528.  https://www.osti.gov/servlets/purl/1279528. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1279528,

  title        = {Materials Data on Mg5(Si8Pd5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.},

  doi          = {10.17188/1279528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279528

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