Inorganic Solid Phases

Cr-spinel, heated at 600 °C for 7 days (Mg0.5Cr1.5Fe0.5Al0.5O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.5Cr1.5Fe0.5Al0.5O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): magnesiochromite/spinel
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Kuma Diffraction KM-4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 170 reflections, R = 0.0277; wR = 0.0587
  • Sample Detail(s): sample prepared from Cr-spinel, electron microprobe analysis, Mössbauer spectroscopy; 14.2(2) wt.% MgO, 28.5(4) wt.% Al2O3, 0.05(2) wt.% TiO2, 41.2(6) wt.% Cr2O3, 0.23(3) wt.% MnO, 12.6 wt.% FeO, 3.9 wt.% Fe2O3, 0.12(2) wt.% NiO, 0.16(5) wt.% ZnO (before heating), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.62Cr0.96Fe0.43Al0.99O4
  • Alphabetic Formula: Al0.99Cr0.96Fe0.43Mg0.62O4
  • Published Formula: Cr-spinel, heated at 600 °C for 7 days
  • Refined Formula: AlCr0.96Fe0.40Mg0.63Mn0.01Ni0O4Ti0Zn0
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.28 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_1245293

  • 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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