Inorganic Solid Phases

Fe3−xCrxAl0.5Si0.5, x= 0.5 (Cr0.5Fe2.5Al0.5Si0.5) Crystal Structure

General Information

  • Phase Label(s): Cr0.5Fe2.5Al0.5Si0.5
  • Structure Class(es): b.c.c. atom arrangement
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF16
  • Space Group: 225
  • Phase Prototype: Cu2MnAl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; HZG-4 (determination of structural parameters), X-rays, Co Kα; λ = 0.178893 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RB = 0.06
  • Sample Detail(s): sample prepared from Fe, Cr, Si, Al, mass spectroscopy, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cr0.5Fe2.5Al0.5Si0.5
  • Alphabetic Formula: Al0.5Cr0.5Fe2.5Si0.5
  • Published Formula: Fe3−xCrxAl0.5Si0.5, x= 0.5
  • Refined Formula: Al0.47Cr0.48Fe2.57Si0.47
  • Wyckoff Sequence: 225,cba
  • Z Formula Units: 4
  • Density: ρ = 6.85 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1937050

  • 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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