Inorganic Solid Phases

(Tl,Hg,Ca)2(Ba,Sr)2(Ca,Sr,Tl)Cu2O7.6 (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; 121 (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 22 variables; 121 reflections; I > 3σ(I), R = 0.020; wR = 0.021
  • Sample Detail(s): energy-dispersive X-ray analysis; Tl1.22(4)Hg0.79(4)Ba0.86(3)Sr1.48(4)Ca0.63(2)Cu2.03(6)Ox, single crystal (determination of cell parameters), single crystal, 0.01×0.05×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.86Sr1.48Ca0.63Cu2.03Tl1.22Hg0.79O7.6
  • Alphabetic Formula: Ba0.86Ca0.63Cu2.03Hg0.79O7.6Sr1.48Tl1.22
  • Published Formula: (Tl,Hg,Ca)2(Ba,Sr)2(Ca,Sr,Tl)Cu2O7.6
  • Refined Formula: Ba0.87Ca0.64Cu2Hg0.79O7.56Sr1.49Tl1.21
  • Wyckoff Sequence: 139,ge5a
  • Z Formula Units: 2
  • Density: ρ = 7.21 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_1003740

  • 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

    Citation copied