Inorganic Solid Phases

(Mg0.563Al0.026Mn0.008Fe2+0.402)(Mg0.025Al0.193Ti0.013Cr1.72Fe2+0.008Fe3+0.041)O4 (Mg0.63Ti0.002Cr1.56Mn0.007Fe0.422Al0.367O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.63Ti0.002Cr1.56Mn0.007Fe0.422Al0.367O4
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s): chromite
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; 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; 162 reflections, R = 0.0198; wR = 0.0381
  • Sample Detail(s): chromite sample from Russia, Siberia, Udachnaya mine, electron microprobe analysis; (Mg0.563(7)Al0.026(1)Mn0.008(2)Fe2+0.402(7))(Mg0.025(1)Al0.193(2)Ti0.013(1)Cr1.72(1)Fe2+0.008(1)Fe3+0.041(8))O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.588Ti0.012Cr1.72Mn0.008Fe0.451Al0.219O4
  • Alphabetic Formula: Al0.219Cr1.72Fe0.451Mg0.588Mn0.008O4Ti0.012
  • Published Formula: (Mg0.563Al0.026Mn0.008Fe2+0.402)(Mg0.025Al0.193Ti0.013Cr1.72Fe2+0.008Fe3+0.041)O4
  • Refined Formula: Al0.22Cr1.72Fe0.45Mg0.59Mn0.01O4Ti0.01
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.60 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_1223717

  • 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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