Inorganic Solid Phases

Na0.03[(Mg1.78Fe0.25)Al3.98Si4.99O18](H2O)0.45(CO2)0.07 at 2.31(5) GPa in methanol/ethanol (Na0.07Mg1.90Fe0.21Al3.97Si4.95O18[OCO]0.14[H2O]0.17, p = 2.31(5) GPa) Crystal Structure

General Information

  • Phase Label(s): Na0.07Mg1.90Fe0.21Al3.97Si4.95O18[OCO]0.14[H2O]0.17
  • 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; Kuma Diffraction (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters), p = 2.31(5) GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 30 variables; 264 reflections; I > 2σ(I), R = 0.0648; wR = 0.0671
  • Sample Detail(s): cordierite sample from Madagascar (Malagasy Republic), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.03Mg1.78Fe0.22Al3.99Si5O18[OCO]0.07[H2O]0.45
  • Alphabetic Formula: Al3.99Fe0.22[H2O]0.45Mg1.78Na0.03O18[OCO]0.07Si5
  • Published Formula: Na0.03[(Mg1.78Fe0.25)Al3.98Si4.99O18](H2O)0.45(CO2)0.07 at 2.31(5) GPa in methanol/ethanol
  • Refined Formula: Al4Mg2O18.50Si5
  • Wyckoff Sequence: 66,m3l6kh2a
  • Z Formula Units: 4
  • Density: ρ = 2.63 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_1234871

  • 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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