Materials Data on Tc3Pt by Materials Project

doi:10.17188/1311949

Title: Materials Data on Tc3Pt by Materials Project

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Abstract

Tc3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.65–2.91 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. Pt5+ is bonded to twelve Tc+1.67- atoms to form PtTc12 cuboctahedra that share corners with sixmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-867281

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; Tc3Pt; Pt-Tc

OSTI Identifier:: 1311949

DOI:: https://doi.org/10.17188/1311949

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                    The Materials Project. Materials Data on Tc3Pt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311949.

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                    The Materials Project. Materials Data on Tc3Pt by Materials Project.  United States.  doi:https://doi.org/10.17188/1311949

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                    The Materials Project. 2020.  
"Materials Data on Tc3Pt by Materials Project".  United States.  doi:https://doi.org/10.17188/1311949.  https://www.osti.gov/servlets/purl/1311949. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1311949,

  title        = {Materials Data on Tc3Pt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tc3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.65–2.91 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. Pt5+ is bonded to twelve Tc+1.67- atoms to form PtTc12 cuboctahedra that share corners with six equivalent PtTc12 cuboctahedra, corners with twelve TcTc8Pt4 cuboctahedra, edges with eighteen TcTc8Pt4 cuboctahedra, faces with eight equivalent PtTc12 cuboctahedra, and faces with twelve TcTc8Pt4 cuboctahedra.},

  doi          = {10.17188/1311949},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1311949

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