Materials Data on RbGa(SeO4)2 by Materials Project

doi:10.17188/1731874

Title: Materials Data on RbGa(SeO4)2 by Materials Project

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Abstract

RbGa(SeO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Ga–O bond lengths are 2.00 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent GaO6 pentagonal pyramids. There is one shorter (1.64 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Se6+ atom.

Publication Date:: 2019-01-11

Other Number(s):: mp-1209140

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ga-O-Rb-Se; RbGa(SeO4)2; crystal structure

OSTI Identifier:: 1731874

DOI:: https://doi.org/10.17188/1731874

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                    Materials Data on RbGa(SeO4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1731874.

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                    Materials Data on RbGa(SeO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731874

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                    2019.  
"Materials Data on RbGa(SeO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731874.  https://www.osti.gov/servlets/purl/1731874. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1731874,

  title        = {Materials Data on RbGa(SeO4)2 by Materials Project},

  
  abstractNote = {RbGa(SeO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.16 Å. Ga3+ is bonded to six equivalent O2- atoms to form distorted GaO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Ga–O bond lengths are 2.00 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent GaO6 pentagonal pyramids. There is one shorter (1.64 Å) and three longer (1.68 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Se6+ atom.},

  doi          = {10.17188/1731874},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1731874

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