Materials Data on InPPt5 by Materials Project

doi:10.17188/1355181

Title: Materials Data on InPPt5 by Materials Project

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Abstract

Pt5InP 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 in a 4-coordinate geometry to two equivalent In1+ and two equivalent P5+ atoms. Both Pt–In bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.46 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In1+ atoms. All Pt–In bond lengths are 2.83 Å. In1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-1025213

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-P-Pt; InPPt5; crystal structure

OSTI Identifier:: 1355181

DOI:: https://doi.org/10.17188/1355181

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                    Materials Data on InPPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355181.

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                    Materials Data on InPPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355181

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                    2020.  
"Materials Data on InPPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355181.  https://www.osti.gov/servlets/purl/1355181. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1355181,

  title        = {Materials Data on InPPt5 by Materials Project},

  
  abstractNote = {Pt5InP 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 in a 4-coordinate geometry to two equivalent In1+ and two equivalent P5+ atoms. Both Pt–In bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.46 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In1+ atoms. All Pt–In bond lengths are 2.83 Å. In1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},

  doi          = {10.17188/1355181},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355181

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