Inorganic Solid Phases

(Y0.8Pr0.2)Ba2Cu4−xFexO8, x= 0.075 (Ba2Cu3.925Y0.8Pr0.2Fe0.075O8) Crystal Structure

General Information

  • Phase Label(s): Ba2Cu3.925Y0.8Pr0.2Fe0.075O8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS34
  • Space Group: 65
  • Phase Prototype: Ba2Cu2(Cu0.96Fe0.04)2(Y0.8Pr0.2)O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.056; RB = 0.055
  • Sample Detail(s): sample prepared from (Y0.8Pr0.2)Ba2Cu4O7−x, Fe2O3 (hematite), amounts of YBa2Cu3O7-type phase and CuO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Cu3.925Y0.8Pr0.2Fe0.075O8
  • Alphabetic Formula: Ba2Cu3.925Fe0.075O8Pr0.2Y0.8
  • Published Formula: (Y0.8Pr0.2)Ba2Cu4−xFexO8, x= 0.075
  • Refined Formula: Ba2Cu3.90Fe0.05O7.90Pr0.19Y0.79
  • Wyckoff Sequence: 65,j3i5d
  • Z Formula Units: 2
  • Density: ρ = 6.19 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_1219185

  • 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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