Inorganic Solid Phases

NdBaFe2O5+x, x= 0.264 (BaNdFe2O5.129, T = 40 K) Crystal Structure

General Information

  • Phase Label(s): BaNdFe2O5.129
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: antiferromagnet AFM, intermediate valence, semiconductor
  • Mineral Name(s):
  • Pearson Symbol: tP12
  • Space Group: 123
  • Phase Prototype: BaCuPrFeO5.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), neutrons; λ = 0.07 nm (determination of cell and structural parameters), T = 70 K (determination of cell parameters), T = 40 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RB = 0.0826
  • Sample Detail(s): sample prepared from Fe, Nd2O3, BaCO3, amounts of orthorhombic phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaNdFe2O5.264
  • Alphabetic Formula: BaFe2NdO5.264
  • Published Formula: NdBaFe2O5+x, x= 0.264
  • Refined Formula: BaFe2NdO5.26
  • Wyckoff Sequence: 123,ig2dcba
  • Z Formula Units: 1
  • Density: ρ = 6.60 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_1410271

  • 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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