Materials Data on Rb3ZnBr5 by Materials Project

doi:10.17188/1262200

Title: Materials Data on Rb3ZnBr5 by Materials Project

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Abstract

Rb3ZnBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–4.11 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.42–3.82 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.43 Å) and one longer (2.46 Å) Zn–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six Rb1+ atoms to form distorted face-sharing BrRb6 octahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-505001

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; Rb3ZnBr5; Br-Rb-Zn

OSTI Identifier:: 1262200

DOI:: https://doi.org/10.17188/1262200

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                    The Materials Project. Materials Data on Rb3ZnBr5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262200.

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                    The Materials Project. Materials Data on Rb3ZnBr5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262200

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                    The Materials Project. 2020.  
"Materials Data on Rb3ZnBr5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262200.  https://www.osti.gov/servlets/purl/1262200. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1262200,

  title        = {Materials Data on Rb3ZnBr5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3ZnBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.48–4.11 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.42–3.82 Å. Zn2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.43 Å) and one longer (2.46 Å) Zn–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six Rb1+ atoms to form distorted face-sharing BrRb6 octahedra. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to five Rb1+ and one Zn2+ atom.},

  doi          = {10.17188/1262200},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262200

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