Materials Data on TlAsPt5 by Materials Project

doi:10.17188/1355397

Title: Materials Data on TlAsPt5 by Materials Project

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Abstract

Pt5TlAs 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 two equivalent Tl1+ and two equivalent As5+ atoms to form a mixture of distorted corner and edge-sharing PtTl2As2 tetrahedra. Both Pt–Tl bond lengths are 2.93 Å. Both Pt–As bond lengths are 2.54 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.88 Å. Tl1+ is bonded to twelve Pt+1.20- atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. As5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-1025353

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; As-Pt-Tl; TlAsPt5; crystal structure

OSTI Identifier:: 1355397

DOI:: https://doi.org/10.17188/1355397

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                    Materials Data on TlAsPt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355397.

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                    Materials Data on TlAsPt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355397

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                    2020.  
"Materials Data on TlAsPt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355397.  https://www.osti.gov/servlets/purl/1355397. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1355397,

  title        = {Materials Data on TlAsPt5 by Materials Project},

  
  abstractNote = {Pt5TlAs 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 two equivalent Tl1+ and two equivalent As5+ atoms to form a mixture of distorted corner and edge-sharing PtTl2As2 tetrahedra. Both Pt–Tl bond lengths are 2.93 Å. Both Pt–As bond lengths are 2.54 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.88 Å. Tl1+ is bonded to twelve Pt+1.20- atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. As5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},

  doi          = {10.17188/1355397},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355397

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