Inorganic Solid Phases

Tl2(Ba1−xSrx)2Ca2Cu3Oy, x= 0.20 (Ba1.5Sr0.5Ca2Cu3Tl1.8O9.7) Crystal Structure

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General Information

  • Phase Label(s): Ba1.5Sr0.5Ca2Cu3Tl1.8O9.7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: diamagnetic, high-Tc superconductor, metal
  • Mineral Name(s): –
  • Pearson Symbol: tI50
  • Space Group: 139
  • Phase Prototype: Ba2Ca2Cu3Tl2O9.87
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.15401 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 = 0.0387; wRP = 0.0470; RB = 0.0610
  • Sample Detail(s): sample prepared from (Ba1−xSrx)2Ca2Cu3Oy, Tl2O3, inductive coupled plasma method, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.6Sr0.4Ca2Cu3Tl1.8O9.7
  • Alphabetic Formula: Ba1.6Ca2Cu3O9.7Sr0.4Tl1.8
  • Published Formula: Tl2(Ba1−xSrx)2Ca2Cu3Oy, x= 0.20
  • Refined Formula: Ba1.60Ca2Cu3O9.75Sr0.40Tl1.77
  • Wyckoff Sequence: 139,nge5ca
  • Z Formula Units: 2
  • Density: ρ = 6.63 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_1923611

  • 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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