Inorganic Solid Phases

La2Cu(O,F)4+y (CuLa2O4F0.25 ht) Crystal Structure

General Information

  • Phase Label(s): CuLa2O4F0.25 ht
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties: diamagnetic, intercalation compound, metal, nonmetal, superconductor
  • Mineral Name(s):
  • Pearson Symbol: oS36
  • Space Group: 64
  • Phase Prototype: (Sr0.08La0.92)2CuO4.02
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1B (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), neutrons (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.102
  • Sample Detail(s): sample prepared from La2O3, CuO, chemical analysis, considering weight change during preparation; Δm/m= 1.15 %; incorporation of F confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuLa2O4F0.25
  • Alphabetic Formula: CuF0.25La2O4
  • Published Formula: La2Cu(O,F)4+y
  • Refined Formula: CuLa2O4.18
  • Wyckoff Sequence: 64,f2e2a
  • Z Formula Units: 4
  • Density: ρ = 7.14 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601060

  • 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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