Inorganic Solid Phases

FeSr2Y1−xNdxCu2O6+d, x= 0.25 (Sr2Cu2Y0.5Nd0.5FeO7.7) Crystal Structure

General Information

  • Phase Label(s): Sr2Cu2Y0.5Nd0.5FeO7.7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP17
  • Space Group: 123
  • Phase Prototype: (Sr0.67Nd0.33)3(Cu0.67Fe0.33)3O7.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3 reactor (determination of structural parameters), neutrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.065
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), SrCO3, Y2O3, CuO, Nd2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr2Cu2Y0.75Nd0.25FeO7.7
  • Alphabetic Formula: Cu2FeNd0.25O7.7Sr2Y0.75
  • Published Formula: FeSr2Y1−xNdxCu2O6+d, x= 0.25
  • Refined Formula: Cu2FeNd0.25O7.69Sr2Y0.75
  • Wyckoff Sequence: 123,nihg2dba
  • Z Formula Units: 1
  • Density: ρ = 5.80 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_1927166

  • 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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