Materials Data on Ti3Pt5 by Materials Project

doi:10.17188/1205207

Title: Materials Data on Ti3Pt5 by Materials Project

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Abstract

Pt5Ti3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded in a distorted q6 geometry to ten Pt2- atoms. There are a spread of Ti–Pt bond distances ranging from 2.67–2.86 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to eight Pt2- atoms to form a mixture of distorted edge and corner-sharing TiPt8 hexagonal bipyramids. There are a spread of Ti–Pt bond distances ranging from 2.64–2.75 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Ti+3.33+ atoms. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Ti+3.33+ atoms. In the third Pt2- site, Pt2- is bonded to six Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing PtTi6 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-30851

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; Ti3Pt5; Pt-Ti

OSTI Identifier:: 1205207

DOI:: https://doi.org/10.17188/1205207

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                    The Materials Project. Materials Data on Ti3Pt5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205207.

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                    The Materials Project. Materials Data on Ti3Pt5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205207

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                    The Materials Project. 2020.  
"Materials Data on Ti3Pt5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205207.  https://www.osti.gov/servlets/purl/1205207. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205207,

  title        = {Materials Data on Ti3Pt5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pt5Ti3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded in a distorted q6 geometry to ten Pt2- atoms. There are a spread of Ti–Pt bond distances ranging from 2.67–2.86 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to eight Pt2- atoms to form a mixture of distorted edge and corner-sharing TiPt8 hexagonal bipyramids. There are a spread of Ti–Pt bond distances ranging from 2.64–2.75 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Ti+3.33+ atoms. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Ti+3.33+ atoms. In the third Pt2- site, Pt2- is bonded to six Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing PtTi6 cuboctahedra.},

  doi          = {10.17188/1205207},

  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/10.17188/1205207

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