Inorganic Solid Phases

61.12 wt.% Nb2O5, 19.14 wt.% Ta2O5, 0.91 wt.% TiO2, 0.06 wt.% SnO2, 0.03 wt.% CaO, 8.47 wt.% MnO, 10.87 wt.% FeO, 0.55 wt.% WO3 (Ta1.1Nb0.9FeO6) Crystal Structure

General Information

  • Phase Label(s): Ta1.1Nb0.9FeO6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): tapiolite-(Fe)
  • Pearson Symbol: tP18
  • Space Group: 136
  • Phase Prototype: Ta2FeO6
  • Measurement Detail(s): automatic diffractometer; 14 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 424 reflections; F > 6σ(F), wR = 0.029
  • Sample Detail(s): columbite sample from Italy, Bergell Alps, Chiavenna Tanno, electron microprobe analysis; 61.12 wt.% Nb2O5, 19.14 wt.% Ta2O5, 0.91 wt.% TiO2, 0.06 wt.% SnO2, 0.03 wt.% CaO, 8.47 wt.% MnO, 10.87 wt.% FeO, 0.55 wt.% WO3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta0.31Nb1.69FeO6
  • Alphabetic Formula: FeNb1.69O6Ta0.31
  • Published Formula: 61.12 wt.% Nb2O5, 19.14 wt.% Ta2O5, 0.91 wt.% TiO2, 0.06 wt.% SnO2, 0.03 wt.% CaO, 8.47 wt.% MnO, 10.87 wt.% FeO, 0.55 wt.% WO3
  • Refined Formula: FeNb1.68O6Ta0.31
  • Wyckoff Sequence: 60,d4c
  • Z Formula Units: 4
  • Density: ρ = 5.82 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
B [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_1626210

  • 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