Materials Data on TiPt8 by Materials Project

doi:10.17188/1205208

Title: Materials Data on TiPt8 by Materials Project

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Abstract

Pt8Ti crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Pt8Ti ribbons oriented in the (0, 0, 1) direction. Ti4+ is bonded to twelve Pt+0.50- atoms to form face-sharing TiPt12 cuboctahedra. There are eight shorter (2.76 Å) and four longer (2.77 Å) Ti–Pt bond lengths. There are two inequivalent Pt+0.50- sites. In the first Pt+0.50- site, Pt+0.50- is bonded in a distorted L-shaped geometry to two equivalent Ti4+ atoms. In the second Pt+0.50- site, Pt+0.50- is bonded in a distorted single-bond geometry to one Ti4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-30852

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; TiPt8; Pt-Ti

OSTI Identifier:: 1205208

DOI:: https://doi.org/10.17188/1205208

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                    The Materials Project. Materials Data on TiPt8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205208.

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                    The Materials Project. Materials Data on TiPt8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205208

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                    The Materials Project. 2020.  
"Materials Data on TiPt8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205208.  https://www.osti.gov/servlets/purl/1205208. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205208,

  title        = {Materials Data on TiPt8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt8Ti crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of two Pt8Ti ribbons oriented in the (0, 0, 1) direction. Ti4+ is bonded to twelve Pt+0.50- atoms to form face-sharing TiPt12 cuboctahedra. There are eight shorter (2.76 Å) and four longer (2.77 Å) Ti–Pt bond lengths. There are two inequivalent Pt+0.50- sites. In the first Pt+0.50- site, Pt+0.50- is bonded in a distorted L-shaped geometry to two equivalent Ti4+ atoms. In the second Pt+0.50- site, Pt+0.50- is bonded in a distorted single-bond geometry to one Ti4+ atom.},

  doi          = {10.17188/1205208},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205208

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