Inorganic Solid Phases

La3.5−2xYxCa2xBa3.5−xCu7Oz, x= 0.2 (Ba1.5Ca0.5Cu3La0.5Y0.5O7) Crystal Structure

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General Information

  • Phase Label(s): Ba1.5Ca0.5Cu3La0.5Y0.5O7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: diamagnetic, high-Tc superconductor, metal
  • Mineral Name(s): –
  • Pearson Symbol: tP14
  • Space Group: 123
  • Phase Prototype: Ba2Cu3YO6.3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; India, Trombay-Mumbai, Bhabha Atomic Research Centre BARC, DHRUVA reactor (determination of structural parameters), neutrons; λ = 0.1216 nm (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 = 0.0265; wRP = 0.0324
  • Sample Detail(s): sample prepared from La2O3, BaCO3, CuO, CaCO3, Y2O3, iodometric titration; O content analyzed: Ba3.3Ca0.4Cu7La3.1Y0.2O16.53, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.41Ca0.17Cu3La1.33Y0.09O7.08
  • Alphabetic Formula: Ba1.41Ca0.17Cu3La1.33O7.08Y0.09
  • Published Formula: La3.5−2xYxCa2xBa3.5−xCu7Oz, x= 0.2
  • Refined Formula: Ba1.40Ca0.17Cu3La1.31O7.16Y0.09
  • Wyckoff Sequence: 123,ihg2fda
  • Z Formula Units: 1
  • Density: ρ = 6.43 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
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_1219124

  • 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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