Inorganic Solid Phases

LaNi0.579Fe0.421O3−d; A-site deficient La0.95Ni0.6Fe0.4O3−d (LNF-red) (LaFe0.4Ni0.6O3, T = 873 K) Crystal Structure

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General Information

  • Phase Label(s): LaFe0.4Ni0.6O3
  • Structure Class(es): perovskite
  • Classification by Properties: ionic conductor, polaron conductor, semiconductor
  • Mineral Name(s): –
  • Pearson Symbol: hR30
  • Space Group: 167
  • Phase Prototype: LaAlO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1909 nm (determination of cell and structural parameters), T = 873 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, RP = 0.0525; wRP = 0.0795
  • Sample Detail(s): sample prepared from La0.95Ni0.6Fe0.4O3−d, thermogravimetry; LaNi0.579Fe0.421O3−d, d= 0.086; amounts of NiO (7 mol.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LaFe0.421Ni0.579O2.914
  • Alphabetic Formula: Fe0.421LaNi0.579O2.914
  • Published Formula: LaNi0.579Fe0.421O3−d; A-site deficient La0.95Ni0.6Fe0.4O3−d (LNF-red)
  • Refined Formula: Fe0.43LaNi0.57O2.92
  • Wyckoff Sequence: 167,eba
  • Z Formula Units: 6
  • Density: ρ = 6.77 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
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_1628287

  • 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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