Materials Data on RbAl(SeO4)2 by Materials Project

doi:10.17188/1687694

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

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Abstract

RbAl(SeO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 cuboctahedra that share corners with six equivalent SeO4 tetrahedra and edges with six equivalent RbO6 cuboctahedra. All Rb–O bond lengths are 3.12 Å. Al3+ is bonded to six equivalent O2- atoms to form distorted AlO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Al–O bond lengths are 1.93 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent RbO6 cuboctahedra and corners with three equivalent AlO6 pentagonal pyramids. There is one shorter (1.65 Å) and three longer (1.67 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 Al3+ 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.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1209251

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; RbAl(SeO4)2; Al-O-Rb-Se

OSTI Identifier:: 1687694

DOI:: https://doi.org/10.17188/1687694

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                    The Materials Project. Materials Data on RbAl(SeO4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687694.

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                    The Materials Project. Materials Data on RbAl(SeO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687694

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                    The Materials Project. 2019.  
"Materials Data on RbAl(SeO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687694.  https://www.osti.gov/servlets/purl/1687694. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1687694,

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

  author       = {The Materials Project},

  abstractNote = {RbAl(SeO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 cuboctahedra that share corners with six equivalent SeO4 tetrahedra and edges with six equivalent RbO6 cuboctahedra. All Rb–O bond lengths are 3.12 Å. Al3+ is bonded to six equivalent O2- atoms to form distorted AlO6 pentagonal pyramids that share corners with six equivalent SeO4 tetrahedra. All Al–O bond lengths are 1.93 Å. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent RbO6 cuboctahedra and corners with three equivalent AlO6 pentagonal pyramids. There is one shorter (1.65 Å) and three longer (1.67 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 Al3+ 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          = {10.17188/1687694},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1687694

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