Materials Data on RbNaTiO3 by Materials Project

doi:10.17188/1269216

Title: Materials Data on RbNaTiO3 by Materials Project

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Abstract

RbNaTiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.99 Å) Rb–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.78–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ti4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-556185

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; RbNaTiO3; Na-O-Rb-Ti

OSTI Identifier:: 1269216

DOI:: https://doi.org/10.17188/1269216

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                    The Materials Project. Materials Data on RbNaTiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269216.

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                    The Materials Project. Materials Data on RbNaTiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269216

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                    The Materials Project. 2020.  
"Materials Data on RbNaTiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269216.  https://www.osti.gov/servlets/purl/1269216. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269216,

  title        = {Materials Data on RbNaTiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbNaTiO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.99 Å) Rb–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.40 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are a spread of Ti–O bond distances ranging from 1.78–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+, one Na1+, and one Ti4+ atom.},

  doi          = {10.17188/1269216},

  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/10.17188/1269216

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