Inorganic Solid Phases

Na4Si3Al3O12Cl (Na8Al6[SiO4]6Cl2, T = 700 K) Crystal Structure

General Information

  • Phase Label(s): Na8Al6[SiO4]6Cl2
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s): sodalite
  • Pearson Symbol: cP46
  • Space Group: 218
  • Phase Prototype: Na8Al6[SiO4]6Cl2
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.10556 nm (determination of cell and structural parameters), T = 700 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, chloride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement on F2; 280 reflections, R = 0.029
  • Sample Detail(s): sodalite group sample from U.S.A. Maine, Litchfield, electron microprobe analysis; Na3.98(5)Si3.06(3)Al2.97(3)Cl1.00(2), single crystal (determination of cell parameters), single crystal, 2.6×2.9×3.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na8Al6[SiO4]6Cl2
  • Alphabetic Formula: Al6Cl2Na8[SiO4]6
  • Published Formula: Na4Si3Al3O12Cl
  • Refined Formula: Al6Cl2Na8O24Si6
  • Wyckoff Sequence: 218,iedca
  • Z Formula Units: 1
  • Density: ρ = 2.27 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_1413092

  • 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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