Inorganic Solid Phases

ferroan wodginite (A-17) (Li0.013Ti0.19Ta1.845Nb0.385Mn0.535Fe0.548Sn0.443O8) Crystal Structure

General Information

  • Phase Label(s): Li0.013Ti0.19Ta1.845Nb0.385Mn0.535Fe0.548Sn0.443O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): wodginite
  • Pearson Symbol: mS48
  • Space Group: 15
  • Phase Prototype: LiW2FeO8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nicolet R3m (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, full-matrix least-squares refinement; 729 reflections; I > 3σ(I), R = 0.065; wR = 0.064
  • Sample Detail(s): wodginite sample from, electron microprobe analysis; Li0.05Mn2.15Fe2+1.64Fe3+0.55Ti0.76Sn4+1.77Nb1.54Ta7.38O32, single crystal (determination of cell parameters), single crystal, 0.18 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.013Ti0.19Ta1.845Nb0.385Mn0.535Fe0.548Sn0.443O8
  • Alphabetic Formula: Fe0.548Li0.013Mn0.535Nb0.385O8Sn0.443Ta1.845Ti0.19
  • Published Formula: ferroan wodginite (A-17)
  • Refined Formula: Fe0.55Li0.01Mn0.53Nb0.39O8Sn0.44Ta1.85Ti0.19
  • Wyckoff Sequence: 15,f5e2
  • Z Formula Units: 4
  • Density: ρ = 7.44 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

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_1014161

  • 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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