Inorganic Solid Phases

Rb-containing Tl-1212 (RbxBa2Ca0.8Cu2Tl1.2O6.5) Crystal Structure

General Information

  • Phase Label(s): RbxBa2Ca0.8Cu2Tl1.2O6.5
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP16
  • Space Group: 123
  • Phase Prototype: Ba2(Ca0.87Tl0.13)Cu2TlO7
  • Measurement Detail(s): precession photographs (determination of cell and 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; composition dependence studied, least-squares refinement, R = 0.067; wR = 0.068
  • Sample Detail(s): sample prepared from Ba oxide, Ca oxide, Cu oxide, Tl2O3, Rb2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: RbxBa2Ca0.9Cu2Tl1.1O6.4
  • Alphabetic Formula: Ba2Ca0.9Cu2O6.4RbxTl1.1
  • Published Formula: Rb-containing Tl-1212
  • Refined Formula: Ba2Ca0.86Cu2O6.41Tl1.14
  • Wyckoff Sequence: 123,nih2gba
  • Z Formula Units: 1
  • Density: ρ = 6.69 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218958

  • 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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