Inorganic Solid Phases

cordierite, H2O and CO2 in channels (Na0.05Mg2Al4.05Si4.95O18[OCO]0.2[H2O]0.1) Crystal Structure

General Information

  • Phase Label(s): Na0.05Mg2Al4.05Si4.95O18[OCO]0.2[H2O]0.1
  • 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; 22 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1082 reflections; I > 1σ(I), R = 0.018; wR = 0.031
  • Sample Detail(s): cordierite sample from Greenland, Ruby Island, sample prepared from cordierite, chemical analysis, coulometry; K0.01Na0.05Mg2.00Fe0.07Al3.97Si4.98O18[H2O]x; 1.4 wt.% CO2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.05Mg2Al4.05Si4.95O18[OCO]0.2[H2O]0.1
  • Alphabetic Formula: Al4.05[H2O]0.1Mg2Na0.05O18[OCO]0.2Si4.95
  • Published Formula: cordierite, H2O and CO2 in channels
  • Refined Formula: Al4C0.20H0.20Mg2Na0.05O18.50Si5
  • Wyckoff Sequence: 66,m3l6kh2cba
  • Z Formula Units: 4
  • Density: ρ = 2.56 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_1603313

  • 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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