Materials Data on NaDyO2 by Materials Project

doi:10.17188/1738009

Title: Materials Data on NaDyO2 by Materials Project

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Abstract

NaDyO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent DyO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.55 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Dy–O bond lengths are 2.31 Å. O2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1101653

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; NaDyO2; Dy-Na-O

OSTI Identifier:: 1738009

DOI:: https://doi.org/10.17188/1738009

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                    The Materials Project. Materials Data on NaDyO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738009.

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                    The Materials Project. Materials Data on NaDyO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738009

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                    The Materials Project. 2020.  
"Materials Data on NaDyO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738009.  https://www.osti.gov/servlets/purl/1738009. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738009,

  title        = {Materials Data on NaDyO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaDyO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent DyO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.55 Å. Dy3+ is bonded to six equivalent O2- atoms to form DyO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent DyO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Dy–O bond lengths are 2.31 Å. O2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ONa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1738009},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738009

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