Materials Data on AlPt3 by Materials Project

doi:10.17188/1277538

Title: Materials Data on AlPt3 by Materials Project

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Abstract

Pt3Al crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.81 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a water-like geometry to four equivalent Al atoms. There are two shorter (2.56 Å) and two longer (3.13 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.59 Å) and two longer (2.90 Å) Pt–Al bond lengths. Al is bonded in a 12-coordinate geometry to twelve Pt atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-607111

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; AlPt3; Al-Pt

OSTI Identifier:: 1277538

DOI:: https://doi.org/10.17188/1277538

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                    The Materials Project. Materials Data on AlPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277538.

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                    The Materials Project. Materials Data on AlPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277538

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                    The Materials Project. 2020.  
"Materials Data on AlPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277538.  https://www.osti.gov/servlets/purl/1277538. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1277538,

  title        = {Materials Data on AlPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Al crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.81 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a water-like geometry to four equivalent Al atoms. There are two shorter (2.56 Å) and two longer (3.13 Å) Pt–Al bond lengths. In the third Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.59 Å) and two longer (2.90 Å) Pt–Al bond lengths. Al is bonded in a 12-coordinate geometry to twelve Pt atoms.},

  doi          = {10.17188/1277538},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277538

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