Inorganic Solid Phases

Fe2.61Si (Fe3Si, T = 300 K) Crystal Structure

General Information

  • Phase Label(s): Fe3Si
  • Structure Class(es): b.c.c. atom arrangement, fluorite family
  • Classification by Properties: ferromagnet FM, metal
  • Mineral Name(s): gupeiite
  • Pearson Symbol: cF16
  • Space Group: 225
  • Phase Prototype: BiF3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE AED2 (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 = 300 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 6 variables; I > 2σ(I), R = 0.041; wR = 0.067
  • Sample Detail(s): sample prepared from Fe, SiCl4, single crystal (determination of cell parameters), single crystal, 0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe2.89Si1.11
  • Alphabetic Formula: Fe2.89Si1.11
  • Published Formula: Fe2.61Si
  • Refined Formula: Fe2.89Si1.11
  • Wyckoff Sequence: 225,cba
  • Z Formula Units: 4
  • Density: ρ = 7.09 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1810931

  • 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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