Materials Data on Zr5TePb3 by Materials Project

doi:10.17188/1676865

Title: Materials Data on Zr5TePb3 by Materials Project

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Abstract

Zr5Pb3Te 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 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 2.99–3.22 Å. Both Zr–Te bond lengths are 2.94 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded to six equivalent Zr atoms to form distorted face-sharing TeZr6 octahedra.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1189342

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; Zr5TePb3; Pb-Te-Zr

OSTI Identifier:: 1676865

DOI:: https://doi.org/10.17188/1676865

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                    The Materials Project. Materials Data on Zr5TePb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676865.

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                    The Materials Project. Materials Data on Zr5TePb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676865

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                    The Materials Project. 2020.  
"Materials Data on Zr5TePb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676865.  https://www.osti.gov/servlets/purl/1676865. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1676865,

  title        = {Materials Data on Zr5TePb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5Pb3Te 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 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 2.99–3.22 Å. Both Zr–Te bond lengths are 2.94 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded to six equivalent Zr atoms to form distorted face-sharing TeZr6 octahedra.},

  doi          = {10.17188/1676865},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1676865

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