Materials Data on RbGeBr3 by Materials Project

doi:10.17188/1202660

Title: Materials Data on RbGeBr3 by Materials Project

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Abstract

RbGeBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–3.83 Å. Ge2+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Ge–Br bond distances ranging from 2.57–3.38 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Ge2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-28558

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; RbGeBr3; Br-Ge-Rb

OSTI Identifier:: 1202660

DOI:: https://doi.org/10.17188/1202660

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                    The Materials Project. Materials Data on RbGeBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202660.

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                    The Materials Project. Materials Data on RbGeBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202660

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                    The Materials Project. 2020.  
"Materials Data on RbGeBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202660.  https://www.osti.gov/servlets/purl/1202660. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1202660,

  title        = {Materials Data on RbGeBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbGeBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–3.83 Å. Ge2+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Ge–Br bond distances ranging from 2.57–3.38 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Ge2+ atoms.},

  doi          = {10.17188/1202660},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202660

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