Inorganic Solid Phases

Y1−xPrxBa2Cu3Oy, x= 0.30 (Ba2Cu3Y0.5Pr0.5O7 orth, T = 15 K) Crystal Structure

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General Information

  • Phase Label(s): Ba2Cu3Y0.5Pr0.5O7 orth
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: antiferromagnet AFM, diamagnetic, heavy fermion compound, high-Tc superconducto
  • Mineral Name(s): –
  • Pearson Symbol: oP13
  • Space Group: 47
  • Phase Prototype: Ba2Cu3YO7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01B (determination of structural parameters), X-rays, synchrotron; λ = 0.060008 nm (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.1047; wRP = 0.1462; RB = 0.0604
  • Sample Detail(s): sample prepared from Y2O3, BaCO3, CuO, Pr6O11, volumetry; O content analyzed: Ba2Cu3Y0.70Pr0.30O6.987(8); amounts of BaCuO2 (4.42 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Cu3Y0.70Pr0.30O7
  • Alphabetic Formula: Ba2Cu3O7Pr0.30Y0.70
  • Published Formula: Y1−xPrxBa2Cu3Oy, x= 0.30
  • Refined Formula: Ba1.89Cu3O7Pr0.41Y0.70
  • Wyckoff Sequence: 47,tsrq2hea
  • Z Formula Units: 1
  • Density: ρ = 6.54 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_1627832

  • 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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