Inorganic Solid Phases

LaBa0.2Gd0.8Cu(O,F)4+d (Ba0.2CuLaGd0.8O4F0.4) Crystal Structure

General Information

  • Phase Label(s): Ba0.2CuLaGd0.8O4F0.4
  • Structure Class(es): high-Tc cuprate family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP24
  • Space Group: 129
  • Phase Prototype: (Ba0.2La0.8)Cu(La0.2Gd0.8)O4F0.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5000 (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0139
  • Sample Detail(s): sample prepared from (La,Ba,Gd)2CuO4, CuF2, chemical analysis, thermogravimetry; LaBa0.2Gd0.8CuO3.55F0.8; amounts of CuO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba0.2CuLaGd0.8O4F0.4
  • Alphabetic Formula: Ba0.2CuF0.4Gd0.8LaO4
  • Published Formula: LaBa0.2Gd0.8Cu(O,F)4+d
  • Refined Formula: Ba0.20CuF0.38Gd0.80LaO4
  • Wyckoff Sequence: 129,if2c3a
  • Z Formula Units: 2
  • Density: ρ = 7.28 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1218822

  • 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

    Citation copied