Materials Data on CaPdPb by Materials Project

doi:10.17188/1281804

Title: Materials Data on CaPdPb by Materials Project

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Abstract

CaPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.13 Å) and one longer (3.21 Å) Ca–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.43 Å) Ca–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.96 Å. Pb is bonded in a distorted q6 geometry to six equivalent Ca and four Pd atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-672254

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; CaPdPb; Ca-Pb-Pd

OSTI Identifier:: 1281804

DOI:: https://doi.org/10.17188/1281804

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                    The Materials Project. Materials Data on CaPdPb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281804.

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                    The Materials Project. Materials Data on CaPdPb by Materials Project.  United States.  doi:https://doi.org/10.17188/1281804

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                    The Materials Project. 2020.  
"Materials Data on CaPdPb by Materials Project".  United States.  doi:https://doi.org/10.17188/1281804.  https://www.osti.gov/servlets/purl/1281804. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1281804,

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

  author       = {The Materials Project},

  abstractNote = {CaPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.13 Å) and one longer (3.21 Å) Ca–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.43 Å) Ca–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.96 Å. Pb is bonded in a distorted q6 geometry to six equivalent Ca and four Pd atoms.},

  doi          = {10.17188/1281804},

  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/10.17188/1281804

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