Inorganic Solid Phases

LaBaCuFe0.95Ni0.05O5.45 (Ba0.5Cu0.5La0.5Fe0.475Ni0.025O2.725) Crystal Structure

General Information

  • Phase Label(s): Ba0.5Cu0.5La0.5Fe0.475Ni0.025O2.725
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP5
  • Space Group: 221
  • Phase Prototype: CaTiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), X-rays, Cu Kα (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): cell parameters determined and type with fixed coordinates assigned
  • Sample Detail(s): sample prepared from La2O3, BaCO3, CuO, Fe2O3 (hematite), NiO, iodometric titration; LaBaCuFe0.95Ni0.05O5+d, d= 0.45, powder (determination of cell parameters)

Substance Summary

  • Standard Formula: Ba0.5Cu0.5La0.5Fe0.475Ni0.025O2.725
  • Alphabetic Formula: Ba0.5Cu0.5Fe0.475La0.5Ni0.025O2.725
  • Published Formula: LaBaCuFe0.95Ni0.05O5.45
  • Refined Formula: Ba0.50Cu0.50Fe0.47La0.50Ni0.03O2.72
  • Wyckoff Sequence: 221,dba
  • Z Formula Units: 1
  • Density: ρ = 6.64 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1821991

  • 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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