Inorganic Solid Phases

Ba1.93(2)Y5.07(2)B5O17; Ba2Y5B5O17; Ba2(Y4.75Ce0.25)B5O17; Ba2Y5B5O17:Ce3+ (Ba2Y4.75Ce0.25B5O17, T = 100 K) Crystal Structure

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General Information

  • Phase Label(s): Ba2Y4.75Ce0.25B5O17
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP116
  • Space Group: 60
  • Phase Prototype: Ba2Y2(Y0.92Ca0.08)3B5O17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0414161 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): borate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0764; wRP = 0.0963
  • Sample Detail(s): sample prepared from BaCO3, Y2O3, H3BO3, CeO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Y4.75Ce0.25B5O17
  • Alphabetic Formula: B5Ba2Ce0.25O17Y4.75
  • Published Formula: Ba1.93(2)Y5.07(2)B5O17; Ba2Y5B5O17; Ba2(Y4.75Ce0.25)B5O17; Ba2Y5B5O17:Ce3+
  • Refined Formula: B5Ba1.93O17Y5.07
  • Wyckoff Sequence: 60,d13c3
  • Z Formula Units: 4
  • Density: ρ = 4.66 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1644046

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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