Inorganic Solid Phases

(Mg0.63Fe0.35)2Al4O2(SiO4)2(OH)4 (Mg1.3Fe0.7Al4[SiO4]2O2[OH]4) Crystal Structure

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General Information

  • Phase Label(s): Mg1.3Fe0.7Al4[SiO4]2O2[OH]4
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): chloritoid 2M/magnesiochloritoid 2M
  • Pearson Symbol: mS88
  • Space Group: 15
  • Phase Prototype: (Mg0.65Fe0.35)2Al4[SiO4]2O2[OH]4
  • Measurement Detail(s): automatic diffractometer; 24 (determination of cell parameters), automatic diffractometer; Nicolet R3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H and part of H atoms determined; temperature dependence studied, least-squares refinement; 2508 reflections; I > 4σ(I), R = 0.032
  • Sample Detail(s): magnesiochloritoid sample from Europe, Alps, Monte Rosa massif, electron microprobe analysis; 27.37 wt.% SiO2, 44.18 wt.% Al2O3, 10.32 wt.% FeO, 12.14 wt.% MgO, single crystal (determination of cell parameters), single crystal, 0.09×0.20×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.3Fe0.7Al4[SiO4]2O2[OH]4
  • Alphabetic Formula: Al4Fe0.7Mg1.3O2[OH]4[SiO4]2
  • Published Formula: (Mg0.63Fe0.35)2Al4O2(SiO4)2(OH)4
  • Refined Formula: Al4Fe0.70H4Mg1.30O14Si2
  • Wyckoff Sequence: 15,f10ec
  • Z Formula Units: 4
  • Density: ρ = 3.33 Mg·m−3
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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_1616294

  • 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)

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