Inorganic Solid Phases

Fe0.462Mn0.476Sc0.045Ti0.116Sn0.004Ca0.001Nb1.806Ta0.086W0.004O6 (Sc0.05Ti0.12Ta0.09Nb1.81Mn0.48Fe0.46O6) Crystal Structure

General Information

  • Phase Label(s): Sc0.05Ti0.12Ta0.09Nb1.81Mn0.48Fe0.46O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): columbite-(Fe)/columbite-(Mn)
  • Pearson Symbol: oP36
  • Space Group: 60
  • Phase Prototype: Nb2FeO6
  • Measurement Detail(s): automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 965 reflections, R = 0.0241; wR = 0.0332
  • Sample Detail(s): columbite sample from Madagascar (Malagasy Republic), Ambatofotsikely, electron microprobe analysis; composition detected as Mn0.462(16)Fe0.476(21)Ti0.117(5)Sc0.045(2)Ca0.001(1)Sn0.004(1)Ta0.087(5)W0.002(1)Nb1.811(11)O6, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc0.05Ti0.12Ta0.09Nb1.81Mn0.48Fe0.46O6
  • Alphabetic Formula: Fe0.46Mn0.48Nb1.81O6Sc0.05Ta0.09Ti0.12
  • Published Formula: Fe0.462Mn0.476Sc0.045Ti0.116Sn0.004Ca0.001Nb1.806Ta0.086W0.004O6
  • Refined Formula: Fe0.46Mn0.48Nb1.81O6Sc0.05Ta0.09Ti0.12
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 5.43 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_1712102

  • 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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