Inorganic Solid Phases

Mg0.633Al0.383Ti0.002V0.003Cr1.550Mn0.007Fe2+0.318Fe3+0.090O4 (Mg0.597Ti0.003V0.004Cr1.55Mn0.008Fe0.468Al0.364O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.597Ti0.003V0.004Cr1.55Mn0.008Fe0.468Al0.364O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): spinel
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer; 13 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.0152
  • Sample Detail(s): spinel group sample from Albania, Thekna, Bulqiza massif, electron microprobe analysis, Mössbauer spectroscopy; Mg0.633(5)Al0.383(4)Ti4+0.002(1)V3+0.003(1)Cr3+1.550(7)Mn2+0.007(1)Fe2+0.318(8)Fe3+0.090(3)O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.632Ti0.002V0.003Cr1.55Mn0.007Fe0.408Al0.383O4
  • Alphabetic Formula: Al0.383Cr1.55Fe0.408Mg0.632Mn0.007O4Ti0.002V0.003
  • Published Formula: Mg0.633Al0.383Ti0.002V0.003Cr1.550Mn0.007Fe2+0.318Fe3+0.090O4
  • Refined Formula: Al0.38Cr1.55Fe0.40Mg0.63Mn0.01O4Ti0V0
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.50 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

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_1220872

  • 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