Materials Data on Rb4PbBr6 by Materials Project

doi:10.17188/1202665

Title: Materials Data on Rb4PbBr6 by Materials Project

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Abstract

Rb4PbBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.64–3.79 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Pb–Br bond lengths are 3.05 Å. Br1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–67°.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-28564

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; Rb4PbBr6; Br-Pb-Rb

OSTI Identifier:: 1202665

DOI:: https://doi.org/10.17188/1202665

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                    The Materials Project. Materials Data on Rb4PbBr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202665.

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                    The Materials Project. Materials Data on Rb4PbBr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202665

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                    The Materials Project. 2020.  
"Materials Data on Rb4PbBr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202665.  https://www.osti.gov/servlets/purl/1202665. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1202665,

  title        = {Materials Data on Rb4PbBr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb4PbBr6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. All Rb–Br bond lengths are 3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.64–3.79 Å. Pb2+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All Pb–Br bond lengths are 3.05 Å. Br1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–67°.},

  doi          = {10.17188/1202665},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202665

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