Materials Data on Cs2TiO3 by Materials Project

doi:10.17188/1711527

Title: Materials Data on Cs2TiO3 by Materials Project

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Abstract

Cs2TiO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.36 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There is one shorter (1.79 Å) and four longer (1.98 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to six equivalent Cs1+ and one Ti4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1178403

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; Cs2TiO3; Cs-O-Ti

OSTI Identifier:: 1711527

DOI:: https://doi.org/10.17188/1711527

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                    The Materials Project. Materials Data on Cs2TiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711527.

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                    The Materials Project. Materials Data on Cs2TiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711527

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                    The Materials Project. 2020.  
"Materials Data on Cs2TiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711527.  https://www.osti.gov/servlets/purl/1711527. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1711527,

  title        = {Materials Data on Cs2TiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2TiO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.36 Å. Ti4+ is bonded to five O2- atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There is one shorter (1.79 Å) and four longer (1.98 Å) Ti–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to four equivalent Cs1+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to six equivalent Cs1+ and one Ti4+ atom.},

  doi          = {10.17188/1711527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711527

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