Inorganic Solid Phases

Mn0.190Mg0.007Fe0.702Ti0.056Nb1.532Ta0.395W0.057Ca0.001Sn0.001O6 (Mg0.01Ti0.07Ta0.05Nb1.93W0.01Mn0.2Fe0.67O6) Crystal Structure

General Information

  • Phase Label(s): Mg0.01Ti0.07Ta0.05Nb1.93W0.01Mn0.2Fe0.67O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): columbite-(Fe)
  • Pearson Symbol: oP36
  • Space Group: 60
  • Phase Prototype: Nb2FeO6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 43 variables; 481 reflections; I > 2σ(I), R = 0.0219; wR = 0.0587
  • Sample Detail(s): columbite-(Fe) sample from U.S.A. Connecticut, Haddam, electron microprobe analysis; Mn0.190Mg0.007Fe0.702Ti0.056Nb1.532Ta0.395W0.057Ca0.001Sn0.001O6, single crystal (determination of cell parameters), single crystal, 0.1×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.01Ti0.06Ta0.39Nb1.53W0.06Mn0.19Fe0.7O6
  • Alphabetic Formula: Fe0.7Mg0.01Mn0.19Nb1.53O6Ta0.39Ti0.06W0.06
  • Published Formula: Mn0.190Mg0.007Fe0.702Ti0.056Nb1.532Ta0.395W0.057Ca0.001Sn0.001O6
  • Refined Formula: FeNb1.55O6Ta0.45
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 5.96 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]

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_1241358

  • 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

    Citation copied