Materials Data on ZnPb3 by Materials Project

doi:10.17188/1313663

Title: Materials Data on ZnPb3 by Materials Project

Dataset
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Abstract

ZnPb3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Pb atoms to form distorted ZnPb12 cuboctahedra that share corners with six equivalent ZnPb12 cuboctahedra, corners with twelve equivalent PbZn4Pb8 cuboctahedra, edges with eighteen equivalent PbZn4Pb8 cuboctahedra, faces with eight equivalent ZnPb12 cuboctahedra, and faces with twelve equivalent PbZn4Pb8 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.43 Å) Zn–Pb bond lengths. Pb is bonded to four equivalent Zn and eight equivalent Pb atoms to form distorted PbZn4Pb8 cuboctahedra that share corners with four equivalent ZnPb12 cuboctahedra, corners with fourteen equivalent PbZn4Pb8 cuboctahedra, edges with six equivalent ZnPb12 cuboctahedra, edges with twelve equivalent PbZn4Pb8 cuboctahedra, faces with four equivalent ZnPb12 cuboctahedra, and faces with sixteen equivalent PbZn4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.35–3.52 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-971901

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; ZnPb3; Pb-Zn

OSTI Identifier:: 1313663

DOI:: https://doi.org/10.17188/1313663

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                    The Materials Project. Materials Data on ZnPb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313663.

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                    The Materials Project. Materials Data on ZnPb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313663

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                    The Materials Project. 2020.  
"Materials Data on ZnPb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313663.  https://www.osti.gov/servlets/purl/1313663. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1313663,

  title        = {Materials Data on ZnPb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnPb3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Pb atoms to form distorted ZnPb12 cuboctahedra that share corners with six equivalent ZnPb12 cuboctahedra, corners with twelve equivalent PbZn4Pb8 cuboctahedra, edges with eighteen equivalent PbZn4Pb8 cuboctahedra, faces with eight equivalent ZnPb12 cuboctahedra, and faces with twelve equivalent PbZn4Pb8 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.43 Å) Zn–Pb bond lengths. Pb is bonded to four equivalent Zn and eight equivalent Pb atoms to form distorted PbZn4Pb8 cuboctahedra that share corners with four equivalent ZnPb12 cuboctahedra, corners with fourteen equivalent PbZn4Pb8 cuboctahedra, edges with six equivalent ZnPb12 cuboctahedra, edges with twelve equivalent PbZn4Pb8 cuboctahedra, faces with four equivalent ZnPb12 cuboctahedra, and faces with sixteen equivalent PbZn4Pb8 cuboctahedra. There are a spread of Pb–Pb bond distances ranging from 3.35–3.52 Å.},

  doi          = {10.17188/1313663},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313663

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