Materials Data on NaYbO2 by Materials Project

doi:10.17188/1288847

Title: Materials Data on NaYbO2 by Materials Project

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Abstract

NaYbO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m 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 YbO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four shorter (2.49 Å) and two longer (2.50 Å) Na–O bond lengths. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Yb–O bond lengths are 2.32 Å. O2- is bonded to three equivalent Na1+ and three equivalent Yb3+ atoms to form a mixture of corner and edge-sharing ONa3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-752924

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; NaYbO2; Na-O-Yb

OSTI Identifier:: 1288847

DOI:: https://doi.org/10.17188/1288847

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                    The Materials Project. Materials Data on NaYbO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288847.

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                    The Materials Project. Materials Data on NaYbO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288847

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                    The Materials Project. 2020.  
"Materials Data on NaYbO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288847.  https://www.osti.gov/servlets/purl/1288847. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1288847,

  title        = {Materials Data on NaYbO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaYbO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m 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 YbO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are four shorter (2.49 Å) and two longer (2.50 Å) Na–O bond lengths. Yb3+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Yb–O bond lengths are 2.32 Å. O2- is bonded to three equivalent Na1+ and three equivalent Yb3+ atoms to form a mixture of corner and edge-sharing ONa3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1288847},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288847

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