Materials Data on PbAu2 by Materials Project

doi:10.17188/1743962

Title: Materials Data on PbAu2 by Materials Project

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Abstract

Au2Pb is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of distorted corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.85–2.93 Å. There are a spread of Au–Pb bond distances ranging from 3.23–3.47 Å. In the second Au1- site, Au1- is bonded in a 11-coordinate geometry to six Au1- and five equivalent Pb2+ atoms. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å. There are a spread of Au–Pb bond distances ranging from 3.20–3.53 Å. In the third Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Pb bond distances ranging from 3.32–3.42 Å. Pb2+ is bonded in a 4-coordinate geometry to eleven Au1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190478

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; PbAu2; Au-Pb

OSTI Identifier:: 1743962

DOI:: https://doi.org/10.17188/1743962

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                    The Materials Project. Materials Data on PbAu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743962.

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                    The Materials Project. Materials Data on PbAu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743962

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                    The Materials Project. 2020.  
"Materials Data on PbAu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743962.  https://www.osti.gov/servlets/purl/1743962. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1743962,

  title        = {Materials Data on PbAu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au2Pb is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of distorted corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.85–2.93 Å. There are a spread of Au–Pb bond distances ranging from 3.23–3.47 Å. In the second Au1- site, Au1- is bonded in a 11-coordinate geometry to six Au1- and five equivalent Pb2+ atoms. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å. There are a spread of Au–Pb bond distances ranging from 3.20–3.53 Å. In the third Au1- site, Au1- is bonded to six Au1- and six equivalent Pb2+ atoms to form a mixture of corner, edge, and face-sharing AuPb6Au6 cuboctahedra. There are a spread of Au–Pb bond distances ranging from 3.32–3.42 Å. Pb2+ is bonded in a 4-coordinate geometry to eleven Au1- atoms.},

  doi          = {10.17188/1743962},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743962

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