Inorganic Solid Phases

Tl1.3Hg0.7Sr2CaCu2Oz nominal, (Tl0.8Hg0.7Cu0.5)(Sr1.7Ca0.3)(Ca0.7Sr0.3Cu2O7.5 (Sr2.2Ca0.8Cu2Tl1.5Hg0.4O8) Crystal Structure

General Information

  • Phase Label(s): Sr2.2Ca0.8Cu2Tl1.5Hg0.4O8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: metal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: tI30
  • Space Group: 139
  • Phase Prototype: Ba2CaCu2Tl2O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 181 reflections, R = 0.028; wR = 0.0246
  • Sample Detail(s): sample prepared from SrO, CaO, Tl2O3, HgO, CuO, energy-dispersive X-ray analysis; Ca15.4(8)Cu35(3)Hg10.1(6)Sr28(2)Tl11.4(7), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr2CaCu2.5Tl0.8Hg0.7O7.5
  • Alphabetic Formula: CaCu2.5Hg0.7O7.5Sr2Tl0.8
  • Published Formula: Tl1.3Hg0.7Sr2CaCu2Oz nominal, (Tl0.8Hg0.7Cu0.5)(Sr1.7Ca0.3)(Ca0.7Sr0.3Cu2O7.5
  • Refined Formula: Ca1.04Cu2.50Hg0.70O7.50Sr1.96Tl0.80
  • Wyckoff Sequence: 139,ge5a
  • Z Formula Units: 2
  • Density: ρ = 6.48 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1827655

  • 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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