Materials Data on Rb2Yb2O5 by Materials Project

doi:10.17188/1316219

Title: Materials Data on Rb2Yb2O5 by Materials Project

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Abstract

Rb2Yb2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Rb–O bond lengths are 3.00 Å. In the second Rb site, Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO5 square pyramids. There are four shorter (3.12 Å) and eight longer (3.45 Å) Rb–O bond lengths. Yb is bonded to five O atoms to form distorted YbO5 square pyramids that share corners with five equivalent YbO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.20 Å) and four longer (2.26 Å) Yb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four Rb and two equivalent Yb atoms. In the second O site, O is bonded to four equivalent Rb and two equivalent Yb atoms to form a mixture of distorted edge and corner-sharing ORb4Yb2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-980056

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; Rb2Yb2O5; O-Rb-Yb

OSTI Identifier:: 1316219

DOI:: https://doi.org/10.17188/1316219

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                    The Materials Project. Materials Data on Rb2Yb2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316219.

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                    The Materials Project. Materials Data on Rb2Yb2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316219

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                    The Materials Project. 2020.  
"Materials Data on Rb2Yb2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316219.  https://www.osti.gov/servlets/purl/1316219. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316219,

  title        = {Materials Data on Rb2Yb2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Yb2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Rb–O bond lengths are 3.00 Å. In the second Rb site, Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO5 square pyramids. There are four shorter (3.12 Å) and eight longer (3.45 Å) Rb–O bond lengths. Yb is bonded to five O atoms to form distorted YbO5 square pyramids that share corners with five equivalent YbO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.20 Å) and four longer (2.26 Å) Yb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four Rb and two equivalent Yb atoms. In the second O site, O is bonded to four equivalent Rb and two equivalent Yb atoms to form a mixture of distorted edge and corner-sharing ORb4Yb2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1316219},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316219

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