Inorganic Solid Phases

Na6.4K0.4Ca0.7Si6Al6O24(SO4)0.7Cl0.8 (K0.3Na6.0Ca1.1Al6[SiO4]6[SO4]Cl0.5) Crystal Structure

General Information

  • Phase Label(s): K0.3Na6.0Ca1.1Al6[SiO4]6[SO4]Cl0.5
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s): haüyne 1C
  • Pearson Symbol: cP102
  • Space Group: 218
  • Phase Prototype: Na8Al6[SiO4]6[SO4][H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, orthosilicate, chloride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 187 reflections; F > 4σ(F), R = 0.046
  • Sample Detail(s): nosean sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.4Na6.4Ca0.7Al6Si6[SO4]0.7Cl0.8O24
  • Alphabetic Formula: Al6Ca0.7Cl0.8K0.4Na6.4O24[SO4]0.7Si6
  • Published Formula: Na6.4K0.4Ca0.7Si6Al6O24(SO4)0.7Cl0.8
  • Refined Formula: Al6Ca0.69Cl0.79K0.39Na6.35O26.56S0.70Si6
  • Wyckoff Sequence: 218,i3e4dca
  • Z Formula Units: 1
  • Density: ρ = 2.18 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_1121525

  • 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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