Inorganic Solid Phases

Gd0.615Fe5.38Si0.39, nominal composition GdFe1.77Si1.3 (Gd0.67Fe5Si0.67) Crystal Structure

General Information

  • Phase Label(s): Gd0.67Fe5Si0.67
  • Structure Class(es): CaCu5-Zr4Al3 intergrowth
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP8
  • Space Group: 191
  • Phase Prototype: Cu5.44Tb0.78
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 14 variables; 114 reflections, R = 0.0480; wR = 0.0663
  • Sample Detail(s): sample prepared from Gd, Fe, Si, mass change after combustion; weight loss during preparation < 0.5 wt.%, single crystal (determination of cell parameters), single crystal, 0.011×0.018×0.043 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Gd0.615Fe5.38Si0.39
  • Alphabetic Formula: Fe5.38Gd0.615Si0.39
  • Published Formula: Gd0.615Fe5.38Si0.39, nominal composition GdFe1.77Si1.3
  • Refined Formula: Fe5.38Gd0.62Si0.39
  • Wyckoff Sequence: 191,lgea
  • Z Formula Units: 1
  • Density: ρ = 7.85 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]

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_1222946

  • 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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