Inorganic Solid Phases

(☐0.71Mg0.16Fe0.13)(Mg1.64Fe0.200.16)(Mg)(Al1.64Mg0.36)(Al)4(Si)2(Al1.12Si0.88)(Si0.68Al0.32)O20.55(OH)1.2F0.25 (Mg3.3Fe0.3Al7.0Si3.6O20.6[OH]1.2F0.2) Crystal Structure

General Information

  • Phase Label(s): Mg3.3Fe0.3Al7.0Si3.6O20.6[OH]1.2F0.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kornerupine
  • Pearson Symbol: oS148
  • Space Group: 63
  • Phase Prototype: Mg3.2Fe0.3Al7.1Si3.6O20(O0.3[OH]0.6F0.1)2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, 1550 reflections; F > 4σ(F), R = 0.034; wR = 0.028
  • Sample Detail(s): kornerupine sample from Zimbabwe (Southern Rhodesia), Limpopo belt, electron microprobe analysis; 28.62 wt.% SiO2, 48.20 wt.% Al2O3, 3.06 wt.% FeO, 17.23 wt.% MgO et al., single crystal (determination of cell parameters), single crystal, 0.050×0.060×0.075 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg3.3Fe0.3Al7.0Si3.6O20.6[OH]1.2F0.2
  • Alphabetic Formula: Al7.0F0.2Fe0.3Mg3.3O20.6[OH]1.2Si3.6
  • Published Formula: (☐0.71Mg0.16Fe0.13)(Mg1.64Fe0.200.16)(Mg)(Al1.64Mg0.36)(Al)4(Si)2(Al1.12Si0.88)(Si0.68Al0.32)O20.55(OH)1.2F0.25
  • Refined Formula: Al7.08Fe0.33H1.20Mg3.16O22Si3.56
  • Wyckoff Sequence: 63,h2g9fe2c4a
  • Z Formula Units: 4
  • Density: ρ = 3.30 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_1616914

  • 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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