Inorganic Solid Phases

Ti0.0019(5)Al1.982(4)Fe3+0.014(3)Mg0.972(4)Mn0.0014(3)Fe2+0.0239(8)Zn0.004(1)O4 (Mg0.98Zn0.01Fe0.04Al1.97O4) Crystal Structure

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General Information

  • Phase Label(s): Mg0.98Zn0.01Fe0.04Al1.97O4
  • 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 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and 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 on F2; 147 reflections, R = 0.0153; wR = 0.0303
  • Sample Detail(s): spinel group sample from Italy, Campania, Vesuvius area, electron microprobe analysis; Ti0.0019(5)Al1.982(4)Fe3+0.014(3)Mg0.972(4)Mn0.0014(3)Fe2+0.0239(8)Zn0.004(1)O4, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg0.97Zn0.01Fe0.04Al1.98O4
  • Alphabetic Formula: Al1.98Fe0.04Mg0.97O4Zn0.01
  • Published Formula: Ti0.0019(5)Al1.982(4)Fe3+0.014(3)Mg0.972(4)Mn0.0014(3)Fe2+0.0239(8)Zn0.004(1)O4
  • Refined Formula: Al1.98Fe0.04Mg0.97Mn0O4Ti0Zn0
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 3.61 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

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_1224715

  • 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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