Inorganic Solid Phases

(La,Tb,Pb)2CuO4, tetragonal (CuLa1.13Tb0.81Pb0.06O4 ht, T = 520 K) Crystal Structure

General Information

  • Phase Label(s): CuLa1.13Tb0.81Pb0.06O4 ht
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP20
  • Space Group: 129
  • Phase Prototype: (Sr0.41Nd0.59)Cu(Ce0.27Nd0.73)O3.93
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer; Nonius CAD4 (determination of structural parameters), X-rays, Ag Kα (determination of cell and structural parameters), T = 520 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 406 reflections; I > 3σ(I), R = 0.035; wR = 0.034
  • Sample Detail(s): sample prepared from La2O3, Tb4O7, CuO, PbO, electron microprobe analysis, single crystal (determination of cell parameters), single crystal, 0.04×0.32×0.32 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuLa1.13Tb0.81Pb0.06O4
  • Alphabetic Formula: CuLa1.13O4Pb0.06Tb0.81
  • Published Formula: (La,Tb,Pb)2CuO4, tetragonal
  • Refined Formula: CuLa1.20O4Pb0.08Tb0.72
  • Wyckoff Sequence: 129,jfc3a
  • Z Formula Units: 2
  • Density: ρ = 7.55 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_1600655

  • 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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