Inorganic Solid Phases

(Fe2+0.13Mg0.103.77)(Zn2.45Li0.51Fe2+0.200.84)(Al15.98Ti0.02)(Al1.95Mg0.091.96)Si8O40[(OH)3.67O4.33] (Li0.26Mg0.09Zn1.23Ti0.01Fe0.16Al8.97Si4O22.17[OH]1.83) Crystal Structure

General Information

  • Phase Label(s): Li0.26Mg0.09Zn1.23Ti0.01Fe0.16Al8.97Si4O22.17[OH]1.83
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zincostaurolite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: Fe1.75Al9Si4O20(O0.675[OH]0.375)4
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1065 reflections; I > 3σ(I), R = 0.025
  • Sample Detail(s): zincostaurolite sample from Switzerland, Valais (Wallis), Zermatt, Barrhorn, sample prepared from zincostaurolite, electron microprobe analysis; Si8.000Al17.926Ti0.023Fe2+0.329Mg0.189Mn2+0.002Zn2.453Li0.509H3.674O48, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.26Mg0.09Zn1.23Ti0.01Fe0.16Al8.97Si4O22.17[OH]1.83
  • Alphabetic Formula: Al8.97Fe0.16Li0.26Mg0.09O22.17[OH]1.83Si4Ti0.01Zn1.23
  • Published Formula: (Fe2+0.13Mg0.103.77)(Zn2.45Li0.51Fe2+0.200.84)(Al15.98Ti0.02)(Al1.95Mg0.091.96)Si8O40[(OH)3.67O4.33]
  • Refined Formula: Al8.97Fe0.16H1.84Li0.25Mg0.09O24Si4Ti0.01Zn1.23
  • Wyckoff Sequence: 12,j7i3hgdcba
  • Z Formula Units: 2
  • Density: ρ = 3.78 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601496

  • 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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