Materials Data on InAsPt5 by Materials Project

doi:10.17188/1355391

Title: Materials Data on InAsPt5 by Materials Project

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Abstract

Pt5InAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to two equivalent Pt, two equivalent In3+, and two equivalent As3- atoms. Both Pt–Pt bond lengths are 2.88 Å. Both Pt–In bond lengths are 2.88 Å. Both Pt–As bond lengths are 2.55 Å. In the second Pt site, Pt is bonded to eight equivalent Pt and four equivalent In3+ atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent PtIn4Pt8 cuboctahedra, faces with four equivalent PtIn4Pt8 cuboctahedra, and faces with four equivalent InPt12 cuboctahedra. All Pt–In bond lengths are 2.87 Å. In3+ is bonded to twelve Pt atoms to form InPt12 cuboctahedra that share corners with four equivalent InPt12 cuboctahedra, faces with four equivalent PtIn4Pt8 cuboctahedra, and faces with four equivalent InPt12 cuboctahedra. As3- is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-1025212

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; InAsPt5; As-In-Pt

OSTI Identifier:: 1355391

DOI:: https://doi.org/10.17188/1355391

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                    The Materials Project. Materials Data on InAsPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355391.

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                    The Materials Project. Materials Data on InAsPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355391

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                    The Materials Project. 2020.  
"Materials Data on InAsPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355391.  https://www.osti.gov/servlets/purl/1355391. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1355391,

  title        = {Materials Data on InAsPt5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt5InAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to two equivalent Pt, two equivalent In3+, and two equivalent As3- atoms. Both Pt–Pt bond lengths are 2.88 Å. Both Pt–In bond lengths are 2.88 Å. Both Pt–As bond lengths are 2.55 Å. In the second Pt site, Pt is bonded to eight equivalent Pt and four equivalent In3+ atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent PtIn4Pt8 cuboctahedra, faces with four equivalent PtIn4Pt8 cuboctahedra, and faces with four equivalent InPt12 cuboctahedra. All Pt–In bond lengths are 2.87 Å. In3+ is bonded to twelve Pt atoms to form InPt12 cuboctahedra that share corners with four equivalent InPt12 cuboctahedra, faces with four equivalent PtIn4Pt8 cuboctahedra, and faces with four equivalent InPt12 cuboctahedra. As3- is bonded in a body-centered cubic geometry to eight equivalent Pt atoms.},

  doi          = {10.17188/1355391},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355391

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