Inorganic Solid Phases

(In,Cu)(IVp)-1222-Ba or (In0.64(3)Cu0.36)Ba2(Y0.78(3)Ca0.22)Cu2O6.79(7) (Ba2Ca0.24Cu2.47Y0.76In0.53O6.69) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca0.24Cu2.47Y0.76In0.53O6.69
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP19
  • Space Group: 123
  • Phase Prototype: Sr2CaCu2(Tl0.5Pb0.5)O7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; HZG-4A (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Cu Kα1 (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 12 variables, RP = 0.0605; wRP = 0.0685; RB = 0.0932
  • Sample Detail(s): sample prepared from In2O3, CuO, K2CO3, BaCO3, CaCO3, Y2O3, amounts of (Ba,K)Ca2In6O12 and BaCuO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.22Cu2.36Y0.78In0.64O6.79
  • Alphabetic Formula: Ba2Ca0.22Cu2.36In0.64O6.79Y0.78
  • Published Formula: (In,Cu)(IVp)-1222-Ba or (In0.64(3)Cu0.36)Ba2(Y0.78(3)Ca0.22)Cu2O6.79(7)
  • Refined Formula: Ba2Ca0.20Cu2.43In0.57O6.77Y0.80
  • Wyckoff Sequence: 123,nlihg2d
  • Z Formula Units: 1
  • Density: ρ = 6.46 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_1622197

  • 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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