Materials Data on RbV2SbO8 by Materials Project

doi:10.17188/1278116

Title: Materials Data on RbV2SbO8 by Materials Project

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Abstract

RbV2SbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.33 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. All Sb–O bond lengths are 2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+,more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-622258

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; RbV2SbO8; O-Rb-Sb-V

OSTI Identifier:: 1278116

DOI:: https://doi.org/10.17188/1278116

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                    The Materials Project. Materials Data on RbV2SbO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278116.

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                    The Materials Project. Materials Data on RbV2SbO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278116

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                    The Materials Project. 2020.  
"Materials Data on RbV2SbO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278116.  https://www.osti.gov/servlets/purl/1278116. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1278116,

  title        = {Materials Data on RbV2SbO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbV2SbO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.33 Å. There are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 19–39°. There are a spread of V–O bond distances ranging from 1.64–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of V–O bond distances ranging from 1.63–1.80 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six VO4 tetrahedra. All Sb–O bond lengths are 2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one V5+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Rb1+, one V5+, and one Sb5+ atom.},

  doi          = {10.17188/1278116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278116

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