Materials Data on K2RbNbF6 by Materials Project

doi:10.17188/1682769

Title: Materials Data on K2RbNbF6 by Materials Project

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Abstract

RbK2NbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent NbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.63 Å. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent NbF6 octahedra. All K–F bond lengths are 3.36 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Nb3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1111116

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; K2RbNbF6; F-K-Nb-Rb

OSTI Identifier:: 1682769

DOI:: https://doi.org/10.17188/1682769

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                    The Materials Project. Materials Data on K2RbNbF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682769.

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                    The Materials Project. Materials Data on K2RbNbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682769

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                    The Materials Project. 2020.  
"Materials Data on K2RbNbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682769.  https://www.osti.gov/servlets/purl/1682769. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1682769,

  title        = {Materials Data on K2RbNbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbK2NbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent NbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.63 Å. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent NbF6 octahedra. All K–F bond lengths are 3.36 Å. Nb3+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Rb1+, four equivalent K1+, and one Nb3+ atom.},

  doi          = {10.17188/1682769},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682769

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