Materials Data on Cs3DyO3 by Materials Project

doi:10.17188/1306428

Title: Materials Data on Cs3DyO3 by Materials Project

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Abstract

Cs3DyO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.85–3.38 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.45 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.12 Å) and two longer (3.29 Å) Cs–O bond lengths. Dy3+ is bonded to four O2- atoms to form edge-sharing DyO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.14–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Cs1+ and one Dy3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-779546

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; Cs3DyO3; Cs-Dy-O

OSTI Identifier:: 1306428

DOI:: https://doi.org/10.17188/1306428

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                    The Materials Project. Materials Data on Cs3DyO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306428.

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                    The Materials Project. Materials Data on Cs3DyO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306428

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                    The Materials Project. 2020.  
"Materials Data on Cs3DyO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306428.  https://www.osti.gov/servlets/purl/1306428. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1306428,

  title        = {Materials Data on Cs3DyO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3DyO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.85–3.38 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.45 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.12 Å) and two longer (3.29 Å) Cs–O bond lengths. Dy3+ is bonded to four O2- atoms to form edge-sharing DyO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.14–2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Dy3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Cs1+ and one Dy3+ atom.},

  doi          = {10.17188/1306428},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1306428

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