Inorganic Solid Phases

Y0.81Ca0.11Ba2.0Cu2.92Zn0.04O6.41 (Ba4Ca0.22Cu5.84Zn0.08Y1.62O12.82) Crystal Structure

General Information

  • Phase Label(s): Ba4Ca0.22Cu5.84Zn0.08Y1.62O12.82
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: superconductor
  • Mineral Name(s):
  • Pearson Symbol: oP25
  • Space Group: 47
  • Phase Prototype: Ba4Cu6Y2O13
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 681 reflections; I > 2σ(I), R = 0.0457
  • Sample Detail(s): energy-dispersive X-ray analysis; Y7.08Ba16.15Ca1.11Cu23.54Zn0.35O51.77, single crystal (determination of cell parameters), single crystal, 0.005×0.05×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba4Ca0.22Cu5.84Zn0.08Y1.62O12.82
  • Alphabetic Formula: Ba4Ca0.22Cu5.84O12.82Y1.62Zn0.08
  • Published Formula: Y0.81Ca0.11Ba2.0Cu2.92Zn0.04O6.41
  • Refined Formula: Ba4Ca0.22Cu5.83O12.82Y1.62Zn0.08
  • Wyckoff Sequence: 47,vutsr2q2peba
  • Z Formula Units: 1
  • Density: ρ = 6.13 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_1012943

  • 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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