Inorganic Solid Phases

NdBa2Cu3O6.65 (Ba2Cu3NdO7) Crystal Structure

General Information

  • Phase Label(s): Ba2Cu3NdO7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: antiferromagnet AFM, diamagnetic, high-Tc superconductor, intermediate valence;
  • Mineral Name(s):
  • Pearson Symbol: oP13
  • Space Group: 47
  • Phase Prototype: Ba2Cu3YO7
  • Measurement Detail(s): diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, GPPD (determination of structural parameters), neutrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 630 reflections, wRP = 0.0504
  • Sample Detail(s): sample prepared from Nd2O3, BaCO3, CuO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Cu3NdO6.65
  • Alphabetic Formula: Ba2Cu3NdO6.65
  • Published Formula: NdBa2Cu3O6.65
  • Refined Formula: Ba2Cu3NdO6.63
  • Wyckoff Sequence: 47,tsrq2heba
  • Z Formula Units: 1
  • Density: ρ = 6.64 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_0559184

  • 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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