Inorganic Solid Phases

PbBa2Y0.8Ca0.2Cu3O7+d, oxidized (Ba2Ca0.2Cu3Y0.8PbO8.4) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca0.2Cu3Y0.8PbO8.4
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI74
  • Space Group: 107
  • Phase Prototype: Ba2(Ca0.2Y0.8)Cu3PbO8.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.022
  • Sample Detail(s): sample prepared from YBa2Cu3O7−x, PbO, thermogravimetry; oxygen coefficient 8.38; trace amounts of Ca (< 1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.2Cu3Y0.8PbO8.4
  • Alphabetic Formula: Ba2Ca0.2Cu3O8.4PbY0.8
  • Published Formula: PbBa2Y0.8Ca0.2Cu3O7+d, oxidized
  • Refined Formula: Ba2Ca0.20Cu3O8.12PbY0.80
  • Wyckoff Sequence: 107,d6b2a9
  • Z Formula Units: 2
  • Density: ρ = 6.96 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1602608

  • 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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