Inorganic Solid Phases

Li0.07Mg0.87Ti0.14Mn0.04Fe3.06Zn0.05Al17.69Si7.67O48H3.41 (Li0.035Mg0.435Zn0.025Ti0.07Mn0.02Fe1.53Al8.84Si3.84O22.3[OH]1.7, T = 13 K) Crystal Structure

General Information

  • Phase Label(s): Li0.035Mg0.435Zn0.025Ti0.07Mn0.02Fe1.53Al8.84Si3.84O22.3[OH]1.7
  • 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; 63 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.11598 nm (determination of cell and structural parameters), T = 13 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 146 variables; 1874 reflections, R = 0.033; wR = 0.077
  • Sample Detail(s): staurolite sample from Switzerland, Graubünden (Grisons), electron microprobe analysis; Si7.668Al17.686Ti0.138Cr0.011V0.009Fe3+0.061Fe2+3.002Co0.007Mg0.886Mn0.042Zn0.047Li0.067H3.408F0.009, single crystal (determination of cell parameters), single crystal, 1.2×1.9×2.8 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.035Mg0.435Zn0.025Ti0.07Mn0.02Fe1.53Al8.84Si3.84O22.3[OH]1.7
  • Alphabetic Formula: Al8.84Fe1.53Li0.035Mg0.435Mn0.02O22.3[OH]1.7Si3.84Ti0.07Zn0.025
  • Published Formula: Li0.07Mg0.87Ti0.14Mn0.04Fe3.06Zn0.05Al17.69Si7.67O48H3.41
  • Refined Formula: Al8.84Fe1.53H1.82Li0.03Mg0.43Mn0.02O24Si3.83Ti0.08Zn0.03
  • Wyckoff Sequence: 12,j7i3hgdcba
  • Z Formula Units: 2
  • Density: ρ = 3.75 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_1407825

  • 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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