Inorganic Solid Phases

Mg(Al0.961Fe0.039)2O4 (MgFeAlO4, T = 973 K) Crystal Structure

General Information

  • Phase Label(s): MgFeAlO4
  • Structure Class(es): spinel family
  • Classification by Properties: ferrimagnet FiM, semiconductor
  • Mineral Name(s): hercynite/spinel
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Siemens AED2 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 973 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement, R = 0.0216; wR = 0.0356
  • Sample Detail(s): chlorospinel sample from Russia, Urals, Shishimsk Mountains, electron microprobe analysis; Mg0.994(10)Zn0.004(1)Mn0.002(1)Fe0.078(10)Al1.922(10)O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: MgFe0.078Al1.922O4
  • Alphabetic Formula: Al1.922Fe0.078MgO4
  • Published Formula: Mg(Al0.961Fe0.039)2O4
  • Refined Formula: Al1.93Fe0.08MgO4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 3.56 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_1123713

  • 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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