Inorganic Solid Phases

Tl2.0Ba2.0CuO6+x (Ba2CuTl2O6.1, T = 4 K) Crystal Structure

General Information

  • Phase Label(s): Ba2CuTl2O6.1
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, intercalation compound, metal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: mS34
  • Space Group: 12
  • Phase Prototype: Ba2CuTl2O6.1
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons; λ = 0.1553 nm (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.076; RB = 0.049
  • Sample Detail(s): sample prepared from CuO, Tl2O3, BaO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2CuTl2O6.10
  • Alphabetic Formula: Ba2CuO6.10Tl2
  • Published Formula: Tl2.0Ba2.0CuO6+x
  • Refined Formula: Ba2CuO6.10Tl2
  • Wyckoff Sequence: 69,m2i2fea
  • Z Formula Units: 4
  • Density: ρ = 8.07 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1406746

  • 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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