Inorganic Solid Phases

Y0.8Ca0.2Ba2−xNdxCu3Oy, x= 0.40 (Ba1.5Ca0.2Cu3Y0.8Nd0.5O7) Crystal Structure

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General Information

  • Phase Label(s): Ba1.5Ca0.2Cu3Y0.8Nd0.5O7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, metal
  • Mineral Name(s): –
  • Pearson Symbol: oP14
  • Space Group: 47
  • Phase Prototype: Ba2Cu3YO7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.1030; wRP = 0.1315
  • Sample Detail(s): sample prepared from Y2O3, CaO, BaCO3, CuO, Nd2O3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.6Ca0.2Cu3Y0.8Nd0.4O7
  • Alphabetic Formula: Ba1.6Ca0.2Cu3Nd0.4O7Y0.8
  • Published Formula: Y0.8Ca0.2Ba2−xNdxCu3Oy, x= 0.40
  • Refined Formula: Ba1.60Ca0.20Cu3Nd0.40O7Y0.80
  • Wyckoff Sequence: 47,tsrq2heba
  • Z Formula Units: 1
  • Density: ρ = 6.34 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_1218834

  • 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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