Materials Data on SiPt5Pb by Materials Project

doi:10.17188/1355551

Title: Materials Data on SiPt5Pb by Materials Project

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Abstract

Pt5PbSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Pb2+ atoms to form PtPt8Pb4 cuboctahedra that share corners with four equivalent PtPt8Pb4 cuboctahedra, faces with four equivalent PtPt8Pb4 cuboctahedra, and faces with four equivalent PbPt12 cuboctahedra. All Pt–Pt bond lengths are 2.99 Å. All Pt–Pb bond lengths are 2.85 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted water-like geometry to two equivalent Pt+1.20-, two equivalent Pb2+, and two equivalent Si4+ atoms. Both Pt–Pb bond lengths are 2.99 Å. Both Pt–Si bond lengths are 2.48 Å. Pb2+ is bonded to twelve Pt+1.20- atoms to form PbPt12 cuboctahedra that share corners with four equivalent PbPt12 cuboctahedra, faces with four equivalent PtPt8Pb4 cuboctahedra, and faces with four equivalent PbPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1025218

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; SiPt5Pb; Pb-Pt-Si

OSTI Identifier:: 1355551

DOI:: https://doi.org/10.17188/1355551

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                    The Materials Project. Materials Data on SiPt5Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355551.

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                    The Materials Project. Materials Data on SiPt5Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1355551

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                    The Materials Project. 2020.  
"Materials Data on SiPt5Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1355551.  https://www.osti.gov/servlets/purl/1355551. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1355551,

  title        = {Materials Data on SiPt5Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt5PbSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Pb2+ atoms to form PtPt8Pb4 cuboctahedra that share corners with four equivalent PtPt8Pb4 cuboctahedra, faces with four equivalent PtPt8Pb4 cuboctahedra, and faces with four equivalent PbPt12 cuboctahedra. All Pt–Pt bond lengths are 2.99 Å. All Pt–Pb bond lengths are 2.85 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted water-like geometry to two equivalent Pt+1.20-, two equivalent Pb2+, and two equivalent Si4+ atoms. Both Pt–Pb bond lengths are 2.99 Å. Both Pt–Si bond lengths are 2.48 Å. Pb2+ is bonded to twelve Pt+1.20- atoms to form PbPt12 cuboctahedra that share corners with four equivalent PbPt12 cuboctahedra, faces with four equivalent PtPt8Pb4 cuboctahedra, and faces with four equivalent PbPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},

  doi          = {10.17188/1355551},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355551

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