Inorganic Solid Phases

Ti0.5Fe6Ge5Sb Crystal Structure

General Information

  • Phase Label(s): Ti0.5Fe6Ge5Sb
  • Structure Class(es): CaCu5-Zr4Al3 intergrowth
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP39
  • Space Group: 191
  • Phase Prototype: LiFe6Ge6
  • Measurement Detail(s): automatic diffractometer; 1528 (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): intermetallic
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 33 variables; 216 reflections; F2 > 2σ(F2), R = 0.029; wR = 0.055
  • Sample Detail(s): sample prepared from Ti, Fe, Ge, Sb, energy-dispersive X-ray analysis; 4.6(2) mol.% Ti, 48.4(7) mol.% Fe, 38.0(4) mol.% Ge, 9.0(4) mol.% Sb; amounts of unidentified phase, single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.5Fe6Ge5Sb
  • Alphabetic Formula: Fe6Ge5SbTi0.5
  • Published Formula: Ti0.5Fe6Ge5Sb
  • Refined Formula: Fe6Ge5.04Sb0.96Ti0.49
  • Wyckoff Sequence: 191,okjiheda
  • Z Formula Units: 3
  • Density: ρ = 7.78 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1614646

  • 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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