Materials Data on Rb3InO3 by Materials Project

doi:10.17188/1290118

Title: Materials Data on Rb3InO3 by Materials Project

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Abstract

Rb3InO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–3.15 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.36 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.08 Å) Rb–O bond lengths. In3+ is bonded to four O2- atoms to form edge-sharing InO4 tetrahedra. There are two shorter (2.08 Å) and two longer (2.15 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one In3+ atom.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-755643

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; Rb3InO3; In-O-Rb

OSTI Identifier:: 1290118

DOI:: https://doi.org/10.17188/1290118

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                    The Materials Project. Materials Data on Rb3InO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1290118.

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                    The Materials Project. Materials Data on Rb3InO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290118

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                    The Materials Project. 2017.  
"Materials Data on Rb3InO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290118.  https://www.osti.gov/servlets/purl/1290118. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1290118,

  title        = {Materials Data on Rb3InO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3InO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–3.15 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.36 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.08 Å) Rb–O bond lengths. In3+ is bonded to four O2- atoms to form edge-sharing InO4 tetrahedra. There are two shorter (2.08 Å) and two longer (2.15 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Rb1+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one In3+ atom.},

  doi          = {10.17188/1290118},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1290118

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