Inorganic Solid Phases

GdBaFe2O5.392 (GdBaFe2O5.39 tet, T = 182 K) Crystal Structure

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General Information

  • Phase Label(s): GdBaFe2O5.39 tet
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: antiferromagnet AFM, intermediate valence
  • Mineral Name(s): –
  • Pearson Symbol: tP12
  • Space Group: 123
  • Phase Prototype: BaCuPrFeO5.5
  • 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 = 0.050086 nm (determination of cell and structural parameters), T = 182 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 98 reflections, RB = 0.048
  • Sample Detail(s): sample prepared from Gd2O3, Fe, BaCO3, H2O, cerimetric titration; O content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaGdFe2O5.392
  • Alphabetic Formula: BaFe2GdO5.392
  • Published Formula: GdBaFe2O5.392
  • Refined Formula: BaFe2GdO5.39
  • Wyckoff Sequence: 123,ig2dcba
  • Z Formula Units: 1
  • Density: ρ = 6.88 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_1003410

  • 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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