Inorganic Solid Phases

(Fe,Ta)Nb2Se10 or Fe1.3Ta0.9Nb1.8Se10 (Ta0.33NbFe0.67Se5) Crystal Structure

General Information

  • Phase Label(s): Ta0.33NbFe0.67Se5
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mP14
  • Space Group: 11
  • Phase Prototype: Nb(Nb0.38Fe0.62)Se5
  • Measurement Detail(s): Guinier film (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Cu Kα1; λ = 0.154051 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1089 reflections; F > 4σ(F), R = 0.034
  • Sample Detail(s): electron microprobe analysis; Fe1.3Ta0.9Nb1.8Se10, powder (determination of cell parameters), single crystal, 0.01×0.02×0.77 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ta0.45Nb0.9Fe0.65Se5
  • Alphabetic Formula: Fe0.65Nb0.9Se5Ta0.45
  • Published Formula: (Fe,Ta)Nb2Se10 or Fe1.3Ta0.9Nb1.8Se10
  • Refined Formula: Fe0.65Nb0.90Se5Ta0.45
  • Wyckoff Sequence: 11,e7
  • Z Formula Units: 2
  • Density: ρ = 6.57 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_1621956

  • 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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