Inorganic Solid Phases

(Fe0.60Mn0.40)(Ta0.65Nb0.35)2O6 (TaNbMn0.5Fe0.5O6) Crystal Structure

General Information

  • Phase Label(s): TaNbMn0.5Fe0.5O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): columbite-(Fe)/tantalite-(Mn)
  • Pearson Symbol: oP36
  • Space Group: 60
  • Phase Prototype: Nb2FeO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1B (determination of structural parameters), neutrons; λ = 0.128 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, wRP = 0.0786; RB = 0.0467
  • Sample Detail(s): columbite sample from Brazil, Paraiba, Borborema pegmatite, electron microprobe analysis; amounts of rutile (1 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta1.3Nb0.7Mn0.4Fe0.6O6
  • Alphabetic Formula: Fe0.6Mn0.4Nb0.7O6Ta1.3
  • Published Formula: (Fe0.60Mn0.40)(Ta0.65Nb0.35)2O6
  • Refined Formula: Fe0.60Mn0.40Nb0.70O6Ta1.30
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 7.19 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_1932763

  • 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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