Inorganic Solid Phases

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

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; 165 reflections; I > 3σ(I), R = 0.0251; wR = 0.0431
  • Sample Detail(s): chromite sample from South Africa, Mpumalanga Province, Tweefontein, electron microprobe analysis; 19.05(49) wt.% Al2O3, 45.33(62) wt.% Cr2O3, 8.96(24) wt.% MgO, 0.27(5) wt.% MnO, 21.56 wt.% FeO, 2.78 wt.% Fe2O3, 0.91(5) wt.% TiO2, 0.14(8) wt.% ZnO, 0.15(4) wt.% NiO, 0.45(2) wt.% V2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.431Ti0.022V0.012Cr1.153Mn0.007Fe0.647Ni0.004Al0.724O4
  • Alphabetic Formula: Al0.724Cr1.153Fe0.647Mg0.431Mn0.007Ni0.004O4Ti0.022V0.012
  • Published Formula: BV 27A TW
  • Refined Formula: Al0.72Cr1.15Fe0.65Mg0.43Mn0.01Ni0O4Ti0.02V0.01
  • 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

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_1924035

  • 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

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