Inorganic Solid Phases

Fe0.5Ti1.0S2 (TiFe0.5S2) Crystal Structure

General Information

  • Phase Label(s): TiFe0.5S2
  • Structure Class(es): AlB2 family
  • Classification by Properties: ferromagnet FM, hard magnet, intercalation compound, metal, nonmetal, spin glas
  • Mineral Name(s):
  • Pearson Symbol: hP4
  • Space Group: 164
  • Phase Prototype: TlCdS2
  • Measurement Detail(s): film (determination of cell parameters), X-rays (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): sulfide
  • Interpretation Detail(s): cell parameters determined and structure type assigned; composition dependence studied
  • Sample Detail(s): sample prepared from FeS, TiS, TiS2, powder (determination of cell parameters)

Substance Summary

  • Standard Formula: TiFe0.5S2
  • Alphabetic Formula: Fe0.5S2Ti
  • Published Formula: Fe0.5Ti1.0S2
  • Refined Formula:
  • Wyckoff Sequence:
  • Z Formula Units: 1
  • Density: ρ = 4.01 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.

Powder Pattern

published defraction line
θ [°]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1704295

  • 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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