Inorganic Solid Phases

Mn0.785Fe0.141Nb1.775Ta0.178Ti0.032Ca0.008O6 (Ca0.01Ti0.03Ta0.18Nb1.78Mn0.78Fe0.14O6) Crystal Structure

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General Information

  • Phase Label(s): Ca0.01Ti0.03Ta0.18Nb1.78Mn0.78Fe0.14O6
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): columbite-(Mn)
  • Pearson Symbol: oP36
  • Space Group: 60
  • Phase Prototype: Nb2FeO6
  • Measurement Detail(s): automatic diffractometer; Philips PW1100 (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; 929 reflections, R = 0.0388; wR = 0.0491
  • Sample Detail(s): columbite sample from Norway, Kragerö, electron microprobe analysis; composition detected as Mn0.812(11)Fe0.145(4)Ti0.070(3)Sc0.002(1)Ca0.010(3)Sn0.004(1)Ta0.178(3)W0.001(1)Nb1.774(9)O6, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.01Ti0.03Ta0.18Nb1.78Mn0.79Fe0.14O6
  • Alphabetic Formula: Ca0.01Fe0.14Mn0.79Nb1.78O6Ta0.18Ti0.03
  • Published Formula: Mn0.785Fe0.141Nb1.775Ta0.178Ti0.032Ca0.008O6
  • Refined Formula: Ca0.01Fe0.13Mn0.71Nb0.08O6Ta0.04Ti0.03
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 5.49 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_1712117

  • 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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