Materials Data on Re4Pb4O13 by Materials Project

doi:10.17188/1734066

Title: Materials Data on Re4Pb4O13 by Materials Project

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Abstract

Re4Pb4O13 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and edges with six equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 41–43°. There is three shorter (1.99 Å) and three longer (2.00 Å) Re–O bond length. Pb2+ is bonded to seven O2- atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent PbO7 hexagonal pyramids, edges with three equivalent PbO7 hexagonal pyramids, and edges with six equivalent ReO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.32–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1219547

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; Re4Pb4O13; O-Pb-Re

OSTI Identifier:: 1734066

DOI:: https://doi.org/10.17188/1734066

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                    The Materials Project. Materials Data on Re4Pb4O13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734066.

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                    The Materials Project. Materials Data on Re4Pb4O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734066

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                    The Materials Project. 2020.  
"Materials Data on Re4Pb4O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734066.  https://www.osti.gov/servlets/purl/1734066. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1734066,

  title        = {Materials Data on Re4Pb4O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re4Pb4O13 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and edges with six equivalent PbO7 hexagonal pyramids. The corner-sharing octahedra tilt angles range from 41–43°. There is three shorter (1.99 Å) and three longer (2.00 Å) Re–O bond length. Pb2+ is bonded to seven O2- atoms to form distorted PbO7 hexagonal pyramids that share corners with three equivalent PbO7 hexagonal pyramids, edges with three equivalent PbO7 hexagonal pyramids, and edges with six equivalent ReO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.32–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Re+4.50+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Pb2+ atoms.},

  doi          = {10.17188/1734066},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1734066

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