Materials Data on Rb3Na(WO4)2 by Materials Project

doi:10.17188/1694521

Title: Materials Data on Rb3Na(WO4)2 by Materials Project

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Abstract

Rb3Na(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.38 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent WO4 tetrahedra. All Na–O bond lengths are 2.51 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.81 Å) and three longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+, one Na1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Rb1+ and one W6+ atom.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104817

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; Rb3Na(WO4)2; Na-O-Rb-W

OSTI Identifier:: 1694521

DOI:: https://doi.org/10.17188/1694521

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                    The Materials Project. Materials Data on Rb3Na(WO4)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1694521.

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                    The Materials Project. Materials Data on Rb3Na(WO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1694521

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                    The Materials Project. 2018.  
"Materials Data on Rb3Na(WO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1694521.  https://www.osti.gov/servlets/purl/1694521. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1694521,

  title        = {Materials Data on Rb3Na(WO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Na(WO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Rb–O bond lengths are 3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.38 Å. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent WO4 tetrahedra. All Na–O bond lengths are 2.51 Å. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is one shorter (1.81 Å) and three longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+, one Na1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Rb1+ and one W6+ atom.},

  doi          = {10.17188/1694521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1694521

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