Materials Data on Zr5ZnPb3 by Materials Project

doi:10.17188/1284958

Title: Materials Data on Zr5ZnPb3 by Materials Project

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Abstract

Zr5ZnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to two equivalent Zn and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing ZrZn2Pb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.79 Å. There are a spread of Zr–Pb bond distances ranging from 3.01–3.15 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1284958

Report Number(s):: mp-696132

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Zr5ZnPb3; Pb-Zn-Zr

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                    The Materials Project. Materials Data on Zr5ZnPb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284958.

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                    The Materials Project. Materials Data on Zr5ZnPb3 by Materials Project.  United States.  https://doi.org/10.17188/1284958

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                    The Materials Project. 2020.  
        "Materials Data on Zr5ZnPb3 by Materials Project".  United States.  https://doi.org/10.17188/1284958.  https://www.osti.gov/servlets/purl/1284958.

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@article{osti_1284958,

  title        = {Materials Data on Zr5ZnPb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5ZnPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.13 Å. In the second Zr site, Zr is bonded to two equivalent Zn and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing ZrZn2Pb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.79 Å. There are a spread of Zr–Pb bond distances ranging from 3.01–3.15 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1284958},

  url          = {https://www.osti.gov/biblio/1284958},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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