Inorganic Solid Phases

magnetite, (Al0.09Fe2+0.14Fe3+0.77)(Al0.02Mg0.03Fe2+0.79Fe3+0.87Ti0.18Mn0.04Zn0.01Ca0.010.05)F0.03O3.97 (Mg0.1Ti0.15Mn0.03Fe2.5Al0.2O3.98F0.02) Crystal Structure

General Information

  • Phase Label(s): Mg0.1Ti0.15Mn0.03Fe2.5Al0.2O3.98F0.02
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): magnetite
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: Fe3O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): fluoride, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 9 variables; 118 reflections, R = 0.0161; wR = 0.0423
  • Sample Detail(s): magnetite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, electron microprobe analysis; (Al0.09Fe2+0.14Fe3+0.77)(Al0.02Mg0.03Fe2+0.79Fe3+0.87Ti0.18Mn0.04Zn0.01Ca0.010.05)F0.03O3.97, single crystal (determination of cell parameters), single crystal, 0.09×0.10×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.03Ti0.18Mn0.04Fe2.57Al0.11O3.97F0.03
  • Alphabetic Formula: Al0.11F0.03Fe2.57Mg0.03Mn0.04O3.97Ti0.18
  • Published Formula: magnetite, (Al0.09Fe2+0.14Fe3+0.77)(Al0.02Mg0.03Fe2+0.79Fe3+0.87Ti0.18Mn0.04Zn0.01Ca0.010.05)F0.03O3.97
  • Refined Formula: Fe2.78O4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.97 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_1226093

  • 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

    Citation copied