Materials Data on RbSbMoO6 by Materials Project

doi:10.17188/1737961

Title: Materials Data on RbSbMoO6 by Materials Project

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Abstract

RbMoSbO6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.48 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent MoO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–45°. There are a spread of Mo–O bond distances ranging from 1.78–2.26 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 35–48°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+, one Mo6+, and one Sb5+ atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1219606

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; RbSbMoO6; Mo-O-Rb-Sb

OSTI Identifier:: 1737961

DOI:: https://doi.org/10.17188/1737961

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                    The Materials Project. Materials Data on RbSbMoO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1737961.

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                    The Materials Project. Materials Data on RbSbMoO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1737961

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                    The Materials Project. 2020.  
"Materials Data on RbSbMoO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1737961.  https://www.osti.gov/servlets/purl/1737961. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1737961,

  title        = {Materials Data on RbSbMoO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbMoSbO6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.48 Å. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent MoO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–45°. There are a spread of Mo–O bond distances ranging from 1.78–2.26 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 35–48°. There is two shorter (1.98 Å) and four longer (2.01 Å) Sb–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+, one Mo6+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Mo6+, and one Sb5+ atom.},

  doi          = {10.17188/1737961},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1737961

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