Materials Data on RbYbO3 by Materials Project

doi:10.17188/1316267

Title: Materials Data on RbYbO3 by Materials Project

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Abstract

RbYbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO6 octahedra. All Rb–O bond lengths are 3.21 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms. In the second O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-980537

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; RbYbO3; O-Rb-Yb

OSTI Identifier:: 1316267

DOI:: https://doi.org/10.17188/1316267

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                    The Materials Project. Materials Data on RbYbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316267.

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                    The Materials Project. Materials Data on RbYbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316267

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                    The Materials Project. 2020.  
"Materials Data on RbYbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316267.  https://www.osti.gov/servlets/purl/1316267. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316267,

  title        = {Materials Data on RbYbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbYbO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO6 octahedra. All Rb–O bond lengths are 3.21 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms. In the second O site, O is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Yb atoms.},

  doi          = {10.17188/1316267},

  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/10.17188/1316267

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