Materials Data on TePb3 by Materials Project

doi:10.17188/1676785

Title: Materials Data on TePb3 by Materials Project

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Abstract

Pb3Te crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to eight equivalent Pb and four equivalent Te atoms to form distorted PbTe4Pb8 cuboctahedra that share corners with four equivalent TePb12 cuboctahedra, corners with fourteen equivalent PbTe4Pb8 cuboctahedra, edges with six equivalent TePb12 cuboctahedra, edges with twelve equivalent PbTe4Pb8 cuboctahedra, faces with four equivalent TePb12 cuboctahedra, and faces with sixteen equivalent PbTe4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.52–3.62 Å. There are two shorter (3.53 Å) and two longer (3.61 Å) Pb–Te bond lengths. Te is bonded to twelve equivalent Pb atoms to form distorted TePb12 cuboctahedra that share corners with six equivalent TePb12 cuboctahedra, corners with twelve equivalent PbTe4Pb8 cuboctahedra, edges with eighteen equivalent PbTe4Pb8 cuboctahedra, faces with eight equivalent TePb12 cuboctahedra, and faces with twelve equivalent PbTe4Pb8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187534

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; TePb3; Pb-Te

OSTI Identifier:: 1676785

DOI:: https://doi.org/10.17188/1676785

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                    The Materials Project. Materials Data on TePb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676785.

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                    The Materials Project. Materials Data on TePb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676785

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                    The Materials Project. 2020.  
"Materials Data on TePb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676785.  https://www.osti.gov/servlets/purl/1676785. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1676785,

  title        = {Materials Data on TePb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pb3Te crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb is bonded to eight equivalent Pb and four equivalent Te atoms to form distorted PbTe4Pb8 cuboctahedra that share corners with four equivalent TePb12 cuboctahedra, corners with fourteen equivalent PbTe4Pb8 cuboctahedra, edges with six equivalent TePb12 cuboctahedra, edges with twelve equivalent PbTe4Pb8 cuboctahedra, faces with four equivalent TePb12 cuboctahedra, and faces with sixteen equivalent PbTe4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.52–3.62 Å. There are two shorter (3.53 Å) and two longer (3.61 Å) Pb–Te bond lengths. Te is bonded to twelve equivalent Pb atoms to form distorted TePb12 cuboctahedra that share corners with six equivalent TePb12 cuboctahedra, corners with twelve equivalent PbTe4Pb8 cuboctahedra, edges with eighteen equivalent PbTe4Pb8 cuboctahedra, faces with eight equivalent TePb12 cuboctahedra, and faces with twelve equivalent PbTe4Pb8 cuboctahedra.},

  doi          = {10.17188/1676785},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676785

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