Materials Data on Rb2BaBr4 by Materials Project

doi:10.17188/1676701

Title: Materials Data on Rb2BaBr4 by Materials Project

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Abstract

Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1219768

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; Rb2BaBr4; Ba-Br-Rb

OSTI Identifier:: 1676701

DOI:: https://doi.org/10.17188/1676701

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                    The Materials Project. Materials Data on Rb2BaBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676701.

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                    The Materials Project. Materials Data on Rb2BaBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676701

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                    The Materials Project. 2020.  
"Materials Data on Rb2BaBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676701.  https://www.osti.gov/servlets/purl/1676701. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1676701,

  title        = {Materials Data on Rb2BaBr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2BaBr4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.39–3.67 Å. Ba2+ is bonded to eight equivalent Br1- atoms to form distorted edge-sharing BaBr8 hexagonal bipyramids. There are four shorter (3.31 Å) and four longer (3.60 Å) Ba–Br bond lengths. Br1- is bonded to four equivalent Rb1+ and two equivalent Ba2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrRb4Ba2 octahedra. The corner-sharing octahedra tilt angles range from 15–52°.},

  doi          = {10.17188/1676701},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676701

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