Materials Data on GaPt3 by Materials Project

doi:10.17188/1725191

Title: Materials Data on GaPt3 by Materials Project

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Abstract

Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms. There are a spread of Pt–Pt bond distances ranging from 2.76–2.88 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 4-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (2.85 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.57 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Ga2+ is bonded in a distorted body-centered cubic geometry to eight Pt+0.67- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1181673

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; GaPt3; Ga-Pt

OSTI Identifier:: 1725191

DOI:: https://doi.org/10.17188/1725191

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                    The Materials Project. Materials Data on GaPt3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1725191.

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                    The Materials Project. Materials Data on GaPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725191

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                    The Materials Project. 2019.  
"Materials Data on GaPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725191.  https://www.osti.gov/servlets/purl/1725191. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1725191,

  title        = {Materials Data on GaPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Ga crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to ten Pt+0.67- atoms. There are a spread of Pt–Pt bond distances ranging from 2.76–2.88 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a 4-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.62 Å) and two longer (2.85 Å) Pt–Ga bond lengths. In the third Pt+0.67- site, Pt+0.67- is bonded in a 10-coordinate geometry to four equivalent Pt+0.67- and four equivalent Ga2+ atoms. There are two shorter (2.57 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Ga2+ is bonded in a distorted body-centered cubic geometry to eight Pt+0.67- atoms.},

  doi          = {10.17188/1725191},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1725191

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