Inorganic Solid Phases

S-sodalite (Na6.4Ca1.4Al6[SiO4]6S1.6) Crystal Structure

General Information

  • Phase Label(s): Na6.4Ca1.4Al6[SiO4]6S1.6
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s): lazurite 1C
  • Pearson Symbol: cP54
  • Space Group: 218
  • Phase Prototype: Na6.4Ca1.4Al6[SiO4]6S1.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, sulfide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 144 reflections; F > 3σ(F), R = 0.072
  • Sample Detail(s): sample prepared from Na6.51Ca1.40K0.03[Si6.02Al5.98O24][SO4]1.57S0.46[CO2]0.72Cl0.09, single crystal (determination of cell parameters), single crystal, 0.03×0.04×0.04 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na6.4Ca1.4Al6[SiO4]6S1.6
  • Alphabetic Formula: Al6Ca1.4Na6.4S1.6[SiO4]6
  • Published Formula: S-sodalite
  • Refined Formula: Al6Ca1.41Na6.83O24S1.58Si6
  • Wyckoff Sequence: 218,ie2dca
  • Z Formula Units: 1
  • Density: ρ = 2.30 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213976

  • 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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