Materials Data on K2Yb2O3 by Materials Project

doi:10.17188/1290975

Title: Materials Data on K2Yb2O3 by Materials Project

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Abstract

K2Yb2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.10 Å. Yb2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing YbO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.20–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Yb2+ atoms to form corner-sharing OK4Yb2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and three equivalent Yb2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-758068

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; K2Yb2O3; K-O-Yb

OSTI Identifier:: 1290975

DOI:: https://doi.org/10.17188/1290975

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                    The Materials Project. Materials Data on K2Yb2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290975.

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                    The Materials Project. Materials Data on K2Yb2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290975

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                    The Materials Project. 2020.  
"Materials Data on K2Yb2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290975.  https://www.osti.gov/servlets/purl/1290975. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1290975,

  title        = {Materials Data on K2Yb2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Yb2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.10 Å. Yb2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing YbO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.20–2.26 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Yb2+ atoms to form corner-sharing OK4Yb2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and three equivalent Yb2+ atoms.},

  doi          = {10.17188/1290975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290975

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