Inorganic Solid Phases

FeNbO4 (Nb0.5Fe0.5O2 rt, T = 4.2 K) Crystal Structure

General Information

  • Phase Label(s): Nb0.5Fe0.5O2 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP12
  • Space Group: 60
  • Phase Prototype: Fe2N0.94
  • 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 = 4.2 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 23 variables; 45 reflections, wRP = 0.0771
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), Nb2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nb0.5Fe0.5O2
  • Alphabetic Formula: Fe0.5Nb0.5O2
  • Published Formula: FeNbO4
  • Refined Formula: Fe0.50Nb0.50O2
  • Wyckoff Sequence: 60,dc
  • Z Formula Units: 4
  • Density: ρ = 5.40 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

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_1614607

  • 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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