Inorganic Solid Phases

(Gd2/3Ce1/3)4(La7/15Ba8/15)Cu6O17.94 (Ba1.07Cu3La0.93Ce0.67Gd1.33O8.97) Crystal Structure

General Information

  • Phase Label(s): Ba1.07Cu3La0.93Ce0.67Gd1.33O8.97
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI34
  • Space Group: 71
  • Phase Prototype: (Ba0.53La0.47)2Cu3(Ce0.33Gd0.67)2O8.97
  • Measurement Detail(s): automatic diffractometer (determination of cell and 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; temperature dependence studied, Rietveld refinement, RP = 0.0340; wRP = 0.0434; RB = 0.0272
  • Sample Detail(s): sample prepared from La2O3, CeO2, BaCO3, CuO, inert gas fusion non-dispersive infrared analysis; oxygen coefficient 17.94; trace amounts of CeO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba1.07Cu3La0.93Ce0.67Gd1.33O8.97
  • Alphabetic Formula: Ba1.07Ce0.67Cu3Gd1.33La0.93O8.97
  • Published Formula: (Gd2/3Ce1/3)4(La7/15Ba8/15)Cu6O17.94
  • Refined Formula: Ba1.06Ce0.66Cu3Gd1.34La0.94O8.97
  • Wyckoff Sequence: 71,j3i4dba
  • Z Formula Units: 2
  • Density: ρ = 7.17 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
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_1600663

  • 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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