Inorganic Solid Phases

(Hg,Pb)-1223, [Hg0.45Pb0.45Cu0.1][Sr0.74Ba0.26]2[Ca0.91Sr0.09]2Cu3O8.31 (Ba0.52Sr1.48Ca2Cu3Hg0.4Pb0.6O8.31, T = 189 K) Crystal Structure

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General Information

  • Phase Label(s): Ba0.52Sr1.48Ca2Cu3Hg0.4Pb0.6O8.31
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, metal
  • Mineral Name(s): –
  • Pearson Symbol: tP17
  • Space Group: 123
  • Phase Prototype: Ba2Ca2Cu3HgO8.44
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), T = 189 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 332 reflections; F > 3σ(F), R = 0.067; wR = 0.068
  • Sample Detail(s): sample prepared from BaCO3, SrCO3, CaCO3, CuO, HgO, PbO, energy-dispersive X-ray analysis; Ca/Cu/Sr/Ba/Hg/Pb ratio 22.89/41.75/15.46/7.34/6.30/6.25, single crystal (determination of cell parameters), single crystal, 0.030×0.100×0.100 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.52Sr1.66Ca1.82Cu3.1Hg0.45Pb0.45O8.31
  • Alphabetic Formula: Ba0.52Ca1.82Cu3.1Hg0.45O8.31Pb0.45Sr1.66
  • Published Formula: (Hg,Pb)-1223, [Hg0.45Pb0.45Cu0.1][Sr0.74Ba0.26]2[Ca0.91Sr0.09]2Cu3O8.31
  • Refined Formula: Ba0.52Ca1.82Cu3.10Hg0.45O8.31Pb0.45Sr1.66
  • Wyckoff Sequence: 123,ih2g2ecba
  • Z Formula Units: 1
  • Density: ρ = 5.91 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
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_1218816

  • 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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