Materials Data on ErAgPb by Materials Project

doi:10.17188/1192138

Title: Materials Data on ErAgPb by Materials Project

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Abstract

ErAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.33 Å) and four longer (3.62 Å) Er–Ag bond lengths. There are four shorter (3.19 Å) and one longer (3.24 Å) Er–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.20 Å. There are two shorter (2.89 Å) and two longer (2.93 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 Er and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-16745

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; ErAgPb; Ag-Er-Pb

OSTI Identifier:: 1192138

DOI:: https://doi.org/10.17188/1192138

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                    The Materials Project. Materials Data on ErAgPb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192138.

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                    The Materials Project. Materials Data on ErAgPb by Materials Project.  United States.  doi:https://doi.org/10.17188/1192138

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                    The Materials Project. 2020.  
"Materials Data on ErAgPb by Materials Project".  United States.  doi:https://doi.org/10.17188/1192138.  https://www.osti.gov/servlets/purl/1192138. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1192138,

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

  author       = {The Materials Project},

  abstractNote = {ErAgPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Ag and five Pb atoms. There are two shorter (3.33 Å) and four longer (3.62 Å) Er–Ag bond lengths. There are four shorter (3.19 Å) and one longer (3.24 Å) Er–Pb bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Ag, and four Pb atoms. Both Ag–Ag bond lengths are 3.20 Å. There are two shorter (2.89 Å) and two longer (2.93 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 Er and six equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Ag atoms.},

  doi          = {10.17188/1192138},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192138

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