Materials Data on Rb3Bi2I9 by Materials Project

doi:10.17188/1739058

Title: Materials Data on Rb3Bi2I9 by Materials Project

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Abstract

Rb3Bi2I9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 4.17–4.41 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 4.10–4.37 Å. Bi3+ is bonded to six I1- atoms to form face-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.98–3.25 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Bi3+ atom. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent Bi3+ atoms. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to three Rb1+ and one Bi3+ atom. In the fifth I1- site, I1- is bonded in a 1-coordinate geometry to three Rb1+ andmore » one Bi3+ atom.« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1120726

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; Rb3Bi2I9; Bi-I-Rb

OSTI Identifier:: 1739058

DOI:: https://doi.org/10.17188/1739058

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                    The Materials Project. Materials Data on Rb3Bi2I9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739058.

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                    The Materials Project. Materials Data on Rb3Bi2I9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739058

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                    The Materials Project. 2020.  
"Materials Data on Rb3Bi2I9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739058.  https://www.osti.gov/servlets/purl/1739058. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1739058,

  title        = {Materials Data on Rb3Bi2I9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Bi2I9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 4.17–4.41 Å. In the second Rb1+ site, Rb1+ is bonded in a 11-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 4.10–4.37 Å. Bi3+ is bonded to six I1- atoms to form face-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 2.98–3.25 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Bi3+ atom. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent Bi3+ atoms. In the fourth I1- site, I1- is bonded in a 1-coordinate geometry to three Rb1+ and one Bi3+ atom. In the fifth I1- site, I1- is bonded in a 1-coordinate geometry to three Rb1+ and one Bi3+ atom.},

  doi          = {10.17188/1739058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1739058

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