Inorganic Solid Phases

Nd1.85Ce0.15CuO3.94 (CuCe0.2Nd1.8O4) Crystal Structure

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General Information

  • Phase Label(s): CuCe0.2Nd1.8O4
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: antiferromagnet AFM, diamagnetic, ferromagnet FM, intermediate valence, metal;
  • Mineral Name(s): –
  • Pearson Symbol: tI14
  • Space Group: 139
  • Phase Prototype: CuNd2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Russia, Ekaterinburg, Zarechny, Institute of Nuclear Materials, IVV-2M reactor, D-2A (determination of structural parameters), neutrons; λ = 0.1805 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RB = 0.0376
  • Sample Detail(s): sample prepared from Nd2O3, CuO, CeO2, trace amounts of CuO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuCe0.15Nd1.85O3.94
  • Alphabetic Formula: Ce0.15CuNd1.85O3.94
  • Published Formula: Nd1.85Ce0.15CuO3.94
  • Refined Formula: Ce0.15Cu0.89Nd1.85O3.93
  • Wyckoff Sequence: 139,edca
  • Z Formula Units: 2
  • Density: ρ = 7.29 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1232876

  • 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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