Inorganic Solid Phases

[Fe0.67Al0.27Ti0.03Zn0.01]4[Al4.12Mg0.24]4[Fe0.11Mn0.03]2(Si0.97Fe0.03)8O48−z(OH)z, z= 3.44 (Mg0.331Zn0.022Ti0.058Mn0.019Fe1.56Al9.069Si3.788O22.5[OH]1.5, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Mg0.331Zn0.022Ti0.058Mn0.019Fe1.56Al9.069Si3.788O22.5[OH]1.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): staurolite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: Fe1.75Al9Si4O20(O0.675[OH]0.375)4
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Germany, Karlsruhe Forschungszentrum, FR2 reactor, P32 (determination of structural parameters), neutrons; λ = 0.1021 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.045
  • Sample Detail(s): staurolite sample from Switzerland, Alps, St. Gotthard, sample prepared from staurolite, electron microprobe analysis; Si7.76Mg0.93Fe3.12Al17.55Ti0.13Mn0.05Zn0.05O48H3.51, single crystal (determination of cell parameters), single crystal, 3.5×4.0×4.0 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.48Zn0.02Ti0.06Mn0.03Fe1.57Al8.78Si3.88O22.28[OH]1.72
  • Alphabetic Formula: Al8.78Fe1.57Mg0.48Mn0.03O22.28[OH]1.72Si3.88Ti0.06Zn0.02
  • Published Formula: [Fe0.67Al0.27Ti0.03Zn0.01]4[Al4.12Mg0.24]4[Fe0.11Mn0.03]2(Si0.97Fe0.03)8O48−z(OH)z, z= 3.44
  • Refined Formula: Al9.16Fe1.25H1.72Mg0.52Mn0.03O24Si3.88Ti0.05Zn0.02
  • Wyckoff Sequence: 12,j7i3hgdcba
  • Z Formula Units: 2
  • Density: ρ = 3.76 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]

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_1714332

  • 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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