Inorganic Solid Phases

YBa2Cu2.89Li0.11O6.85 (Li0.11Ba2Cu2.89YO6.85, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): Li0.11Ba2Cu2.89YO6.85
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP16
  • Space Group: 47
  • Phase Prototype: Ba2Cu2(Cu0.89Ga0.11)PrO6.96
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12251 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, Rietveld refinement, wRP = 0.045; RB = 0.037
  • Sample Detail(s): sample prepared from Y2O3, BaCO3, CuO, Li2CO3, emission plasma spectrometry, iodometric titration; YBa2Cu2.89(2)Li0.11(2)O6.85(4), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.11Ba2Cu2.89YO6.85
  • Alphabetic Formula: Ba2Cu2.89Li0.11O6.85Y
  • Published Formula: YBa2Cu2.89Li0.11O6.85
  • Refined Formula: Ba2Cu2.89Li0.11O6.88Y
  • Wyckoff Sequence: 47,tsrq3okha
  • Z Formula Units: 1
  • Density: ρ = 6.30 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_1219192

  • 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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