Materials Data on Ga3Pt5 by Materials Project

doi:10.17188/1205036

Title: Materials Data on Ga3Pt5 by Materials Project

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Abstract

Ga3Pt5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Pt+1.20- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.78 Å. All Pt–Ga bond lengths are 2.65 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to six Pt+1.20- and six Ga2+ atoms to form a mixture of distorted corner and face-sharing PtGa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. There are four shorter (2.76 Å) and two longer (2.78 Å) Pt–Ga bond lengths. In the third Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to four equivalent Pt+1.20- and six Ga2+ atoms. There are two shorter (2.54 Å) and four longer (2.81 Å) Pt–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a body-centered cubic geometry to eight Pt+1.20- atoms. In the second Ga2+ site, Ga2+ is bonded in a distorted q6 geometry to ten Pt+1.20- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-30663

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; Ga3Pt5; Ga-Pt

OSTI Identifier:: 1205036

DOI:: https://doi.org/10.17188/1205036

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                    The Materials Project. Materials Data on Ga3Pt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205036.

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                    The Materials Project. Materials Data on Ga3Pt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205036

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                    The Materials Project. 2020.  
"Materials Data on Ga3Pt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205036.  https://www.osti.gov/servlets/purl/1205036. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205036,

  title        = {Materials Data on Ga3Pt5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga3Pt5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Pt+1.20- and four equivalent Ga2+ atoms. All Pt–Pt bond lengths are 2.78 Å. All Pt–Ga bond lengths are 2.65 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to six Pt+1.20- and six Ga2+ atoms to form a mixture of distorted corner and face-sharing PtGa6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. There are four shorter (2.76 Å) and two longer (2.78 Å) Pt–Ga bond lengths. In the third Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to four equivalent Pt+1.20- and six Ga2+ atoms. There are two shorter (2.54 Å) and four longer (2.81 Å) Pt–Ga bond lengths. There are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a body-centered cubic geometry to eight Pt+1.20- atoms. In the second Ga2+ site, Ga2+ is bonded in a distorted q6 geometry to ten Pt+1.20- atoms.},

  doi          = {10.17188/1205036},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205036

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