Inorganic Solid Phases

Gd(Ba2−xPrx)Cu3O7+d, x= 0.30 (Ba1.75Cu3Pr0.25GdO7.06) Crystal Structure

General Information

  • Phase Label(s): Ba1.75Cu3Pr0.25GdO7.06
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: semiconductor, superconductor
  • Mineral Name(s):
  • Pearson Symbol: tP14
  • Space Group: 123
  • Phase Prototype: Ba2Cu3YO6.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW3710 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 27 variables; 32 reflections, R = 0.0711; RP = 0.12287; wRP = 0.15553; RB = 0.0585
  • Sample Detail(s): sample prepared from Gd2O3, Pr6O11, Ba[CO3], CuO, iodometric titration; oxygen coefficient 7.06(3), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.70Cu3Pr0.30GdO7.06
  • Alphabetic Formula: Ba1.70Cu3GdO7.06Pr0.30
  • Published Formula: Gd(Ba2−xPrx)Cu3O7+d, x= 0.30
  • Refined Formula: Ba1.71Cu3Gd0.99O7.06Pr0.29
  • Wyckoff Sequence: 123,ihg2fda
  • Z Formula Units: 1
  • Density: ρ = 7.04 Mg·m−3

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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1604565

  • 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)

  • Cite this content

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