Materials Data on AlSiPt6 by Materials Project

doi:10.17188/1744624

Title: Materials Data on AlSiPt6 by Materials Project

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Abstract

Pt6SiAl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional and consists of two aluminum molecules and one Pt6Si framework. In the Pt6Si framework, there are three inequivalent Pt+0.17+ sites. In the first Pt+0.17+ site, Pt+0.17+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.77 Å. In the second Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.86 Å. In the third Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.68 Å. Si4- is bonded to twelve Pt+0.17+ atoms to form a mixture of face and corner-sharing SiPt12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1228017

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; AlSiPt6; Al-Pt-Si

OSTI Identifier:: 1744624

DOI:: https://doi.org/10.17188/1744624

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                    The Materials Project. Materials Data on AlSiPt6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744624.

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                    The Materials Project. Materials Data on AlSiPt6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744624

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                    The Materials Project. 2020.  
"Materials Data on AlSiPt6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744624.  https://www.osti.gov/servlets/purl/1744624. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1744624,

  title        = {Materials Data on AlSiPt6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt6SiAl crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional and consists of two aluminum molecules and one Pt6Si framework. In the Pt6Si framework, there are three inequivalent Pt+0.17+ sites. In the first Pt+0.17+ site, Pt+0.17+ is bonded in a linear geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.77 Å. In the second Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.86 Å. In the third Pt+0.17+ site, Pt+0.17+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.68 Å. Si4- is bonded to twelve Pt+0.17+ atoms to form a mixture of face and corner-sharing SiPt12 cuboctahedra.},

  doi          = {10.17188/1744624},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1744624

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