Materials Data on Rb3Na(RuO4)2 by Materials Project

doi:10.17188/1188533

Title: Materials Data on Rb3Na(RuO4)2 by Materials Project

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Abstract

Rb3Na(RuO4)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 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.29 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent RuO4 tetrahedra, and faces with two equivalent NaO6 octahedra. There are six shorter (3.13 Å) and six longer (3.58 Å) Rb–O bond lengths. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Na–O bond lengths are 2.46 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with three equivalent NaO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.77 Å) and three longer (1.81 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+,more »« less

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-12046

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(RuO4)2; Na-O-Rb-Ru

OSTI Identifier:: 1188533

DOI:: https://doi.org/10.17188/1188533

Citation Formats


                    The Materials Project. Materials Data on Rb3Na(RuO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188533.

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                    The Materials Project. Materials Data on Rb3Na(RuO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188533

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                    The Materials Project. 2020.  
"Materials Data on Rb3Na(RuO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188533.  https://www.osti.gov/servlets/purl/1188533. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1188533,

  title        = {Materials Data on Rb3Na(RuO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Na(RuO4)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 1-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.29 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent RuO4 tetrahedra, and faces with two equivalent NaO6 octahedra. There are six shorter (3.13 Å) and six longer (3.58 Å) Rb–O bond lengths. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RuO4 tetrahedra and faces with two equivalent RbO12 cuboctahedra. All Na–O bond lengths are 2.46 Å. Ru6+ is bonded to four O2- atoms to form RuO4 tetrahedra that share corners with three equivalent NaO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There is one shorter (1.77 Å) and three longer (1.81 Å) Ru–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+, one Na1+, and one Ru6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four Rb1+ and one Ru6+ atom.},

  doi          = {10.17188/1188533},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188533

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