Materials Data on Rb2Sb4O11 by Materials Project

doi:10.17188/1270125

Title: Materials Data on Rb2Sb4O11 by Materials Project

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Abstract

Rb2Sb4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.40 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.54 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Sb–O bond distances ranging from 1.98–2.13 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–47°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Sb–Omore »« less

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-558023

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; Rb2Sb4O11; O-Rb-Sb

OSTI Identifier:: 1270125

DOI:: https://doi.org/10.17188/1270125

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                    The Materials Project. Materials Data on Rb2Sb4O11 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1270125.

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                    The Materials Project. Materials Data on Rb2Sb4O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270125

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                    The Materials Project. 2017.  
"Materials Data on Rb2Sb4O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270125.  https://www.osti.gov/servlets/purl/1270125. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1270125,

  title        = {Materials Data on Rb2Sb4O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Sb4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.40 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.54 Å. There are three inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–55°. There are a spread of Sb–O bond distances ranging from 1.98–2.13 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 32–47°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of Sb–O bond distances ranging from 1.95–2.16 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two equivalent Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Rb1+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Sb5+ atoms.},

  doi          = {10.17188/1270125},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1270125

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