Inorganic Solid Phases

Fe-Mg chloritoid, 2M2 (Mg1.3Fe0.7Al4[SiO4]2O2[OH]4) Crystal Structure

General Information

  • Phase Label(s): Mg1.3Fe0.7Al4[SiO4]2O2[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chloritoid/magnesiochloritoid 2M
  • Pearson Symbol: mS88
  • Space Group: 15
  • Phase Prototype: (Mg0.65Fe0.35)2Al4[SiO4]2O2[OH]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 50 variables; 5999 reflections, RP = 0.025; wRP = 0.031
  • Sample Detail(s): chloritoid sample from unknown, electron microprobe analysis; 0.10 wt.% MnO; Si2.06(1)Al3.94(1)Fe3+0.06(1)Fe2+0.86(2)Mg1.12(3)O8[OH]4, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Mg1.12Fe0.94Al3.94[SiO4]2O2[OH]4
  • Alphabetic Formula: Al3.94Fe0.94Mg1.12O2[OH]4[SiO4]2
  • Published Formula: Fe-Mg chloritoid, 2M2
  • Refined Formula: Al3.88Fe0.98Mg1.14O14Si2
  • Wyckoff Sequence: 15,f10ec
  • Z Formula Units: 4
  • Density: ρ = 3.40 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601867

  • 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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