Materials Data on ScNb(PbO3)2 by Materials Project

doi:10.17188/1708627

Title: Materials Data on ScNb(PbO3)2 by Materials Project

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Abstract

ScNb(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent NbO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a linear geometry to one Sc3+, one Nb5+, and four equivalent Pb2+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1219284

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nb-O-Pb-Sc; ScNb(PbO3)2; crystal structure

OSTI Identifier:: 1708627

DOI:: https://doi.org/10.17188/1708627

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                    Materials Data on ScNb(PbO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708627.

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                    Materials Data on ScNb(PbO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708627

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                    2020.  
"Materials Data on ScNb(PbO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708627.  https://www.osti.gov/servlets/purl/1708627. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1708627,

  title        = {Materials Data on ScNb(PbO3)2 by Materials Project},

  
  abstractNote = {ScNb(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent NbO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a linear geometry to one Sc3+, one Nb5+, and four equivalent Pb2+ atoms.},

  doi          = {10.17188/1708627},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708627

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