Inorganic Solid Phases

Mg1.12Fe0.82Mn0.02Al4.02Si4.99O18 (Mg1.17Mn0.02Fe0.86Al3.96Si5.00O18) Crystal Structure

General Information

  • Phase Label(s): Mg1.17Mn0.02Fe0.86Al3.96Si5.00O18
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cordierite low
  • Pearson Symbol: oS116
  • Space Group: 66
  • Phase Prototype: (Mg0.85Fe0.15)2Al4Si5O18
  • Measurement Detail(s): automatic diffractometer; 22 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1054 reflections; F > 6σ(F), R = 0.020; wR = 0.035
  • Sample Detail(s): cordierite sample from Italy, Tuscany, Torniella, electron microprobe analysis; gas content (H2O and CO2), 0.30-0.16 wt %, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg1.12Mn0.02Fe0.82Al4.02Si4.99O18
  • Alphabetic Formula: Al4.02Fe0.82Mg1.12Mn0.02O18Si4.99
  • Published Formula: Mg1.12Fe0.82Mn0.02Al4.02Si4.99O18
  • Refined Formula: Al4Fe0.84Mg1.14Mn0.02O18Si5
  • Wyckoff Sequence: 66,m3l6kha
  • Z Formula Units: 4
  • Density: ρ = 2.60 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

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_2090216

  • 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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