Materials Data on SbPt3 by Materials Project

doi:10.17188/1686501

Title: Materials Data on SbPt3 by Materials Project

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Abstract

Pt3Sb crystallizes in the tetragonal I4/mmm 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 square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 3.08 Å. In the third Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form a mixture of distorted corner and edge-sharing PtSb4 tetrahedra. All Pt–Sb bond lengths are 2.81 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SbPt12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1078755

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; SbPt3; Pt-Sb

OSTI Identifier:: 1686501

DOI:: https://doi.org/10.17188/1686501

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                    The Materials Project. Materials Data on SbPt3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686501.

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                    The Materials Project. Materials Data on SbPt3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686501

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                    The Materials Project. 2020.  
"Materials Data on SbPt3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686501.  https://www.osti.gov/servlets/purl/1686501. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1686501,

  title        = {Materials Data on SbPt3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt3Sb crystallizes in the tetragonal I4/mmm 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 square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 3.08 Å. In the third Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form a mixture of distorted corner and edge-sharing PtSb4 tetrahedra. All Pt–Sb bond lengths are 2.81 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SbPt12 cuboctahedra.},

  doi          = {10.17188/1686501},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1686501

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