Materials Data on Y5CuPb3 by Materials Project

doi:10.17188/1280650

Title: Materials Data on Y5CuPb3 by Materials Project

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Abstract

Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Y–Cu bond lengths are 2.82 Å. There are a spread of Y–Pb bond distances ranging from 3.08–3.61 Å. In the second Y site, Y is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Y–Pb bond lengths are 3.24 Å. Cu is bonded to six equivalent Y atoms to form face-sharing CuY6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Y atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-646750

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; Y5CuPb3; Cu-Pb-Y

OSTI Identifier:: 1280650

DOI:: https://doi.org/10.17188/1280650

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                    The Materials Project. Materials Data on Y5CuPb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280650.

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                    The Materials Project. Materials Data on Y5CuPb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280650

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                    The Materials Project. 2020.  
"Materials Data on Y5CuPb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280650.  https://www.osti.gov/servlets/purl/1280650. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1280650,

  title        = {Materials Data on Y5CuPb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Y–Cu bond lengths are 2.82 Å. There are a spread of Y–Pb bond distances ranging from 3.08–3.61 Å. In the second Y site, Y is bonded to six equivalent Pb atoms to form a mixture of distorted corner, edge, and face-sharing YPb6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Y–Pb bond lengths are 3.24 Å. Cu is bonded to six equivalent Y atoms to form face-sharing CuY6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Y atoms.},

  doi          = {10.17188/1280650},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280650

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