Materials Data on Ti6Al16Pt7 by Materials Project

doi:10.17188/1316054

Title: Materials Data on Ti6Al16Pt7 by Materials Project

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Abstract

Ti6Pt7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Pt, and eight Al atoms. All Ti–Ti bond lengths are 2.99 Å. All Ti–Pt bond lengths are 3.20 Å. There are four shorter (2.77 Å) and four longer (3.28 Å) Ti–Al bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.50 Å) and four longer (2.69 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Ti and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Pt4 tetrahedra. In the second Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978976

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; Ti6Al16Pt7; Al-Pt-Ti

OSTI Identifier:: 1316054

DOI:: https://doi.org/10.17188/1316054

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                    The Materials Project. Materials Data on Ti6Al16Pt7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316054.

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                    The Materials Project. Materials Data on Ti6Al16Pt7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316054

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                    The Materials Project. 2020.  
"Materials Data on Ti6Al16Pt7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316054.  https://www.osti.gov/servlets/purl/1316054. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316054,

  title        = {Materials Data on Ti6Al16Pt7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti6Pt7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Pt, and eight Al atoms. All Ti–Ti bond lengths are 2.99 Å. All Ti–Pt bond lengths are 3.20 Å. There are four shorter (2.77 Å) and four longer (3.28 Å) Ti–Al bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.50 Å) and four longer (2.69 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Ti and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Pt4 tetrahedra. In the second Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Pt atoms.},

  doi          = {10.17188/1316054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316054

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