Inorganic Solid Phases

BV 27 TW (Mg0.38Ti0.03V0.009Cr1.201Mn0.01Fe0.915Ni0.004Al0.45O4) Crystal Structure

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General Information

  • Phase Label(s): Mg0.38Ti0.03V0.009Cr1.201Mn0.01Fe0.915Ni0.004Al0.45O4
  • 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; 24 (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; 169 reflections; I > 3σ(I), R = 0.0186; wR = 0.0358
  • Sample Detail(s): chromite sample from South Africa, Mpumalanga Province, Tweefontein, electron microprobe analysis; 19.72(69) wt.% Al2O3, 44.71(78) wt.% Cr2O3, 9.21(29) wt.% MgO, 0.25(3) wt.% MnO, 21.08 wt.% FeO, 2.91 wt.% Fe2O3, 0.73(4) wt.% TiO2, 0.10(6) wt.% ZnO, 0.11(4) wt.% NiO, 0.43(2) wt.% V2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.445Ti0.018V0.011Cr1.126Mn0.007Fe0.641Ni0.003Al0.75O4
  • Alphabetic Formula: Al0.75Cr1.126Fe0.641Mg0.445Mn0.007Ni0.003O4Ti0.018V0.011
  • Published Formula: BV 27 TW
  • Refined Formula: Al0.75Cr1.13Fe0.64Mg0.45Mn0.01Ni0O4Ti0.02V0.01
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.47 Mg·m−3
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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_1924034

  • 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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