Inorganic Solid Phases

(Fe2+0.16Mg0.723.12)(Mg1.86Li0.94Zn0.021.18)(Al15.96Ti0.04)(Al1.58Mg0.451.97)(Si7.96Al0.04)O40[(OH)3.98O4.02] (Li0.46Mg1.5Zn0.01Ti0.02Fe0.08Al8.79Si3.98O22.01[OH]1.99) Crystal Structure

General Information

  • Phase Label(s): Li0.46Mg1.5Zn0.01Ti0.02Fe0.08Al8.79Si3.98O22.01[OH]1.99
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesiostaurolite
  • 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; 652 reflections; I > 3σ(I), R = 0.035
  • Sample Detail(s): magnesiostaurolite sample from Italy, Alps, Piedmont, Dora Maira massif, sample prepared from magnesiostaurolite, electron microprobe analysis; Si7.959Al17.578Ti0.035Fe2+0.156Mg3.007Zn0.019Li0.940H3.983O48, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.46Mg1.5Zn0.01Ti0.02Fe0.08Al8.79Si3.98O22.01[OH]1.99
  • Alphabetic Formula: Al8.79Fe0.08Li0.46Mg1.5O22.01[OH]1.99Si3.98Ti0.02Zn0.01
  • Published Formula: (Fe2+0.16Mg0.723.12)(Mg1.86Li0.94Zn0.021.18)(Al15.96Ti0.04)(Al1.58Mg0.451.97)(Si7.96Al0.04)O40[(OH)3.98O4.02]
  • Refined Formula: Al8.80Fe0.08H1.99Li0.47Mg1.51O24Si3.98Ti0.02Zn0.01
  • Wyckoff Sequence: 12,j7i3hgdcba
  • Z Formula Units: 2
  • Density: ρ = 3.54 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_1601495

  • 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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