Materials Data on TlPt by Materials Project

doi:10.17188/1188058

Title: Materials Data on TlPt by Materials Project

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Abstract

PtTl crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a hexagonal planar geometry to six equivalent Tl atoms. All Pt–Tl bond lengths are 3.38 Å. In the second Pt site, Pt is bonded to six equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing PtTl6 pentagonal pyramids. All Pt–Tl bond lengths are 2.74 Å. Tl is bonded to six Pt atoms to form a mixture of distorted face, edge, and corner-sharing TlPt6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-11553

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; TlPt; Pt-Tl

OSTI Identifier:: 1188058

DOI:: https://doi.org/10.17188/1188058

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                    The Materials Project. Materials Data on TlPt by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1188058.

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                    The Materials Project. Materials Data on TlPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1188058

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                    The Materials Project. 2017.  
"Materials Data on TlPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1188058.  https://www.osti.gov/servlets/purl/1188058. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1188058,

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

  author       = {The Materials Project},

  abstractNote = {PtTl crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a hexagonal planar geometry to six equivalent Tl atoms. All Pt–Tl bond lengths are 3.38 Å. In the second Pt site, Pt is bonded to six equivalent Tl atoms to form a mixture of distorted face, edge, and corner-sharing PtTl6 pentagonal pyramids. All Pt–Tl bond lengths are 2.74 Å. Tl is bonded to six Pt atoms to form a mixture of distorted face, edge, and corner-sharing TlPt6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1188058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1188058

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