Inorganic Solid Phases

(Hg0.7Tl0.3)2Ba2(Y0.4Ca0.6)Cu2O8−2d (Ba2Ca0.2Cu2Tl0.6Hg1.4Y0.8O8) Crystal Structure

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General Information

  • Phase Label(s): Ba2Ca0.2Cu2Tl0.6Hg1.4Y0.8O8
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tI42
  • Space Group: 139
  • Phase Prototype: Ba2Cu2Hg2YO7.55
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; MAC Science MXP18 (determination of structural parameters), X-rays, Cu Kα (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 = 0.0728; wRP = 0.0976; RB = 0.0401
  • Sample Detail(s): sample prepared from BaO2, Y2O3, CaO, CuO, HgO, Tl2O3, iodometric titration; O content analyzed: Ba2Ca0.1Cu2Tl0.6Hg1.4Y0.9O7.71, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca0.6Cu2Tl0.6Hg1.4Y0.4O7.71
  • Alphabetic Formula: Ba2Ca0.6Cu2Hg1.4O7.71Tl0.6Y0.4
  • Published Formula: (Hg0.7Tl0.3)2Ba2(Y0.4Ca0.6)Cu2O8−2d
  • Refined Formula: Ba2Ca0.38Cu2Hg1.40O7.44Tl0.60Y0.62
  • Wyckoff Sequence: 139,mge4a
  • Z Formula Units: 2
  • Density: ρ = 7.57 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_1219001

  • 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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