Materials Data on YAgPb by Materials Project

doi:10.17188/1196959

Title: Materials Data on YAgPb by Materials Project

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Abstract

YAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.37 Å) and four longer (3.62 Å) Y–Ag bond lengths. There are four shorter (3.21 Å) and one longer (3.23 Å) Y–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Y, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.25 Å. There are two shorter (2.91 Å) and two longer (2.95 Å) Ag–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Ag atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-21505

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; YAgPb; Ag-Pb-Y

OSTI Identifier:: 1196959

DOI:: https://doi.org/10.17188/1196959

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                    The Materials Project. Materials Data on YAgPb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196959.

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                    The Materials Project. Materials Data on YAgPb by Materials Project.  United States.  doi:https://doi.org/10.17188/1196959

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                    The Materials Project. 2020.  
"Materials Data on YAgPb by Materials Project".  United States.  doi:https://doi.org/10.17188/1196959.  https://www.osti.gov/servlets/purl/1196959. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196959,

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

  author       = {The Materials Project},

  abstractNote = {YAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.37 Å) and four longer (3.62 Å) Y–Ag bond lengths. There are four shorter (3.21 Å) and one longer (3.23 Å) Y–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Y, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.25 Å. There are two shorter (2.91 Å) and two longer (2.95 Å) Ag–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Ag atoms.},

  doi          = {10.17188/1196959},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1196959

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