Materials Data on MgPt5 by Materials Project

doi:10.17188/1315492

Title: Materials Data on MgPt5 by Materials Project

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Abstract

MgPt5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgPt5 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a distorted q6 geometry to ten Pt+0.40- atoms. There are a spread of Mg–Pt bond distances ranging from 2.73–2.84 Å. There are five inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to two equivalent Mg2+ atoms to form distorted PtMg2 cuboctahedra that share corners with six PtMg2 cuboctahedra and an edgeedge with one PtMg3 cuboctahedra. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the third Pt+0.40- site, Pt+0.40- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the fifth Pt+0.40- site, Pt+0.40- is bonded to three equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing PtMg3 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-977056

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; MgPt5; Mg-Pt

OSTI Identifier:: 1315492

DOI:: https://doi.org/10.17188/1315492

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                    The Materials Project. Materials Data on MgPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315492.

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                    The Materials Project. Materials Data on MgPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315492

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                    The Materials Project. 2020.  
"Materials Data on MgPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315492.  https://www.osti.gov/servlets/purl/1315492. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1315492,

  title        = {Materials Data on MgPt5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgPt5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgPt5 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a distorted q6 geometry to ten Pt+0.40- atoms. There are a spread of Mg–Pt bond distances ranging from 2.73–2.84 Å. There are five inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to two equivalent Mg2+ atoms to form distorted PtMg2 cuboctahedra that share corners with six PtMg2 cuboctahedra and an edgeedge with one PtMg3 cuboctahedra. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the third Pt+0.40- site, Pt+0.40- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ atoms. In the fifth Pt+0.40- site, Pt+0.40- is bonded to three equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing PtMg3 cuboctahedra.},

  doi          = {10.17188/1315492},

  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/10.17188/1315492

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