Inorganic Solid Phases

cordierite, non-irradiated (Na0.03Mg1.92Fe0.08Al4.03Si4.97O18[OCO]0.45) Crystal Structure

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General Information

  • Phase Label(s): Na0.03Mg1.92Fe0.08Al4.03Si4.97O18[OCO]0.45
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): cordierite low
  • Pearson Symbol: oS132
  • Space Group: 66
  • Phase Prototype: Na0.03(Mg0.96Fe0.04)2Al4.03Si4.97O18[OCO]0.45
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 91 variables; 1219 reflections; F > 4σ(F), R = 0.0219; wR = 0.0509
  • Sample Detail(s): cordierite sample from Greenland, Fiskenaesset, Ruby Island, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.07Mg1.86Fe0.14Al4.07Si4.93O18[OCO]0.5
  • Alphabetic Formula: Al4.07Fe0.14Mg1.86Na0.07O18[OCO]0.5Si4.93
  • Published Formula: cordierite, non-irradiated
  • Refined Formula: Al4C0.70Fe0.14Mg1.86Na0.07O18.48Si5
  • Wyckoff Sequence: 66,m3l6kh2cba
  • Z Formula Units: 4
  • Density: ρ = 2.62 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
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_1235503

  • 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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