Inorganic Solid Phases

[(Fe,Mn)1.40Mg0.60](Al3.84Fe0.16)Si2O10(OH)4; chloritoid, triclinic, 1Tc (Mg0.64Mn0.07Fe1.52Al3.87Si2O10[OH]4) Crystal Structure

General Information

  • Phase Label(s): Mg0.64Mn0.07Fe1.52Al3.87Si2O10[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): chloritoid 2A
  • Pearson Symbol: aP22
  • Space Group: 2
  • Phase Prototype: (Mg0.08Fe0.92)2(Fe0.15Al0.85)Al3Si2O10[OH]4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα (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; 109 variables; 1116 reflections; I > 2σ(I), R = 0.084
  • Sample Detail(s): chloritoid sample from Turkey, Kucadasi, sample prepared from chloritoid, electron microprobe analysis; Mg0.54(8)Mn0.07(1)Fe2+1.38(8)Fe3+0.13(1)Al3.87(2)Si2.07(1)O10[OH]4, single crystal (determination of cell parameters), single crystal, 0.100×0.50×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.64Mn0.07Fe1.52Al3.87Si2O10[OH]4
  • Alphabetic Formula: Al3.87Fe1.52Mg0.64Mn0.07O10[OH]4Si2
  • Published Formula: [(Fe,Mn)1.40Mg0.60](Al3.84Fe0.16)Si2O10(OH)4; chloritoid, triclinic, 1Tc
  • Refined Formula: Al3.84Fe1.56H4Mg0.60O14Si2
  • Wyckoff Sequence: 2,i9gdca
  • Z Formula Units: 1
  • 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1603332

  • 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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