Inorganic Solid Phases

Tl(Ba2−xSrx)PrCu2O7−y, x= 1.6 (Ba1.6Sr0.4Cu2TlPrO7, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Ba1.6Sr0.4Cu2TlPrO7
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP13
  • Space Group: 123
  • Phase Prototype: Ba2CaCu2TlO6.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell and structural parameters), T = 300 K (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 = 0.0305; wRP = 0.0426; RB = 0.0562
  • Sample Detail(s): sample prepared from Tl2O3, BaCO3, Pr6O11, CuO, SrCO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.4Sr1.6Cu2TlPrO6.87
  • Alphabetic Formula: Ba0.4Cu2O6.87PrSr1.6Tl
  • Published Formula: Tl(Ba2−xSrx)PrCu2O7−y, x= 1.6
  • Refined Formula: Ba0.40Cu2O6.87PrSr1.60Tl0.90
  • Wyckoff Sequence: 123,ihg2dca
  • Z Formula Units: 1
  • Density: ρ = 7.08 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624797

  • 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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