Inorganic Solid Phases

Fe3.5Al18Si8O45(OH)3 (Fe1.75Al9Si4O22.5[OH]1.5) Crystal Structure

General Information

  • Phase Label(s): Fe1.75Al9Si4O22.5[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; 69 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (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): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined; anharmonic displacement parameters determined, full-matrix least-squares refinement; 115 variables; 2997 reflections, R = 0.026
  • Sample Detail(s): staurolite sample from France, Brittany, Scaer, electron microprobe analysis; Fe3.38Ti0.11Mn0.06Zn0.47Mg0.75Al17.81Si7.66O45[OH]3, single crystal (determination of cell parameters), single crystal, 0.16×0.18×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Fe1.75Al9Si4O22.5[OH]1.5
  • Alphabetic Formula: Al9Fe1.75O22.5[OH]1.5Si4
  • Published Formula: Fe3.5Al18Si8O45(OH)3
  • Refined Formula: Al9Fe1.77H1.50O24Si4
  • 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002124

  • 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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