Materials Data on RbPbI3 by Materials Project

doi:10.17188/1199565

Title: Materials Data on RbPbI3 by Materials Project

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Abstract

RbPbI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.90–4.30 Å. Pb2+ is bonded to six I1- atoms to form edge-sharing PbI6 octahedra. There are a spread of Pb–I bond distances ranging from 3.12–3.41 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Pb2+ atoms. In the second I1- site, I1- is bonded to four equivalent Rb1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing IRb4Pb square pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-23517

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; RbPbI3; I-Pb-Rb

OSTI Identifier:: 1199565

DOI:: https://doi.org/10.17188/1199565

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                    The Materials Project. Materials Data on RbPbI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199565.

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                    The Materials Project. Materials Data on RbPbI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199565

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                    The Materials Project. 2020.  
"Materials Data on RbPbI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199565.  https://www.osti.gov/servlets/purl/1199565. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1199565,

  title        = {Materials Data on RbPbI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbPbI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.90–4.30 Å. Pb2+ is bonded to six I1- atoms to form edge-sharing PbI6 octahedra. There are a spread of Pb–I bond distances ranging from 3.12–3.41 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Pb2+ atoms. In the second I1- site, I1- is bonded to four equivalent Rb1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing IRb4Pb square pyramids. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Pb2+ atoms.},

  doi          = {10.17188/1199565},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199565

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