Inorganic Solid Phases

(Fe0.84Mg0.05Mn0.15Si0.02Al1.92)O4 (Mg0.05Mn0.15Fe0.84Al1.92Si0.02O4) Crystal Structure

General Information

  • Phase Label(s): Mg0.05Mn0.15Fe0.84Al1.92Si0.02O4
  • Structure Class(es): spinel family
  • Classification by Properties: nonmetal
  • Mineral Name(s): hercynite
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 10 variables; 79 reflections; F > 4σ(F), R = 0.0114
  • Sample Detail(s): hercynite sample from synthetic, sample prepared from granite, Ca5[PO4]3OH, MnO2, electron microprobe analysis, LCF, XANES; (Fe0.84Mg0.05Mn0.15Si0.02Al1.92)O4; Mn2+/Mn3+/Mn4+ ratio 0.41(8)/0.53(7)/0.06(6), single crystal (determination of cell parameters), single crystal, 0.090×0.130×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.05Mn0.15Fe0.84Al1.92Si0.02O4
  • Alphabetic Formula: Al1.92Fe0.84Mg0.05Mn0.15O4Si0.02
  • Published Formula: (Fe0.84Mg0.05Mn0.15Si0.02Al1.92)O4
  • Refined Formula: Al1.83Fe1.02Mn0.15O4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 4.22 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_1239030

  • 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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