Materials Data on Rb2CoBr4 by Materials Project

doi:10.17188/1199458

Title: Materials Data on Rb2CoBr4 by Materials Project

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Abstract

Rb2CoBr4 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 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.55–3.92 Å. In the second 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 3.50–4.05 Å. Co2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.39 Å) and one longer (2.41 Å) Co–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-23366

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; Rb2CoBr4; Br-Co-Rb

OSTI Identifier:: 1199458

DOI:: https://doi.org/10.17188/1199458

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                    The Materials Project. Materials Data on Rb2CoBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199458.

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                    The Materials Project. Materials Data on Rb2CoBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199458

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                    The Materials Project. 2020.  
"Materials Data on Rb2CoBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199458.  https://www.osti.gov/servlets/purl/1199458. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199458,

  title        = {Materials Data on Rb2CoBr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2CoBr4 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 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.55–3.92 Å. In the second 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 3.50–4.05 Å. Co2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are three shorter (2.39 Å) and one longer (2.41 Å) Co–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to four Rb1+ and one Co2+ atom. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to five Rb1+ and one Co2+ atom.},

  doi          = {10.17188/1199458},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199458

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