Materials Data on MgPt2 by Materials Project

doi:10.17188/1749466

Title: Materials Data on MgPt2 by Materials Project

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Abstract

MgPt2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to nine Pt atoms to form distorted MgPt9 cuboctahedra that share corners with fifteen equivalent MgPt9 cuboctahedra, corners with twenty-four PtMg6Pt6 cuboctahedra, edges with three equivalent PtMg6Pt6 cuboctahedra, and faces with five equivalent MgPt9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Mg–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six equivalent Mg and six equivalent Pt atoms to form distorted PtMg6Pt6 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with twelve equivalent PtMg4Pt2 cuboctahedra, edges with six equivalent MgPt9 cuboctahedra, edges with eighteen PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.80 Å. In the second Pt site, Pt is bonded to four equivalent Mg and two equivalent Pt atoms to form distorted PtMg4Pt2 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with sixteen PtMg6Pt6 cuboctahedra, edges with ten PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg4Pt2 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1185948

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; MgPt2; Mg-Pt

OSTI Identifier:: 1749466

DOI:: https://doi.org/10.17188/1749466

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                    The Materials Project. Materials Data on MgPt2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749466.

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                    The Materials Project. Materials Data on MgPt2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749466

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                    The Materials Project. 2020.  
"Materials Data on MgPt2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749466.  https://www.osti.gov/servlets/purl/1749466. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749466,

  title        = {Materials Data on MgPt2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPt2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to nine Pt atoms to form distorted MgPt9 cuboctahedra that share corners with fifteen equivalent MgPt9 cuboctahedra, corners with twenty-four PtMg6Pt6 cuboctahedra, edges with three equivalent PtMg6Pt6 cuboctahedra, and faces with five equivalent MgPt9 cuboctahedra. There are six shorter (2.80 Å) and three longer (2.84 Å) Mg–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six equivalent Mg and six equivalent Pt atoms to form distorted PtMg6Pt6 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with twelve equivalent PtMg4Pt2 cuboctahedra, edges with six equivalent MgPt9 cuboctahedra, edges with eighteen PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.80 Å. In the second Pt site, Pt is bonded to four equivalent Mg and two equivalent Pt atoms to form distorted PtMg4Pt2 cuboctahedra that share corners with twelve equivalent MgPt9 cuboctahedra, corners with sixteen PtMg6Pt6 cuboctahedra, edges with ten PtMg6Pt6 cuboctahedra, and faces with two equivalent PtMg4Pt2 cuboctahedra.},

  doi          = {10.17188/1749466},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749466

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