Inorganic Solid Phases

Tl1.3Hg0.7BaSr1.25Ca0.75Cu2O8−d (Ba0.6Sr1.8Ca0.6Cu2Tl1.3Hg0.7O8) Crystal Structure

General Information

  • Phase Label(s): Ba0.6Sr1.8Ca0.6Cu2Tl1.3Hg0.7O8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: high-Tc superconductor, metal
  • Mineral Name(s):
  • Pearson Symbol: tI30
  • Space Group: 139
  • Phase Prototype: Ba2CaCu2Tl2O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα; λ = 0.15405 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 23 variables; 156 reflections, RB = 0.0691
  • Sample Detail(s): sample prepared from oxide, energy-dispersive X-ray analysis; Tl1.39(6)Hg0.58(6)Ba1.06(8)Sr1.15(8)Ca0.60(4)Cu2.2(1)O8−x, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaSr1.25Ca0.75Cu2Tl1.3Hg0.7O7.5
  • Alphabetic Formula: BaCa0.75Cu2Hg0.7O7.5Sr1.25Tl1.3
  • Published Formula: Tl1.3Hg0.7BaSr1.25Ca0.75Cu2O8−d
  • Refined Formula: Ba1.06Ca0.60Cu2Hg0.30O7.50Sr1.34Tl1.70
  • Wyckoff Sequence: 139,ge5a
  • Z Formula Units: 2
  • Density: ρ = 7.23 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_1920964

  • 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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