Inorganic Solid Phases

(Na4.5K1.4Ca1.9)[Al6Si6O24][SO4]1.8 (KNa4.4Ca2.3Al6Si6[SO4]2O24 cub) Crystal Structure

General Information

  • Phase Label(s): KNa4.4Ca2.3Al6Si6[SO4]2O24 cub
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s): haüyne 1C
  • Pearson Symbol: cP78
  • Space Group: 218
  • Phase Prototype: K1.4Na4.4Ca1.9Al6Si6[SO4]1.8O24
  • 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): sulfate, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 164 reflections; F > 3σ(F), R = 0.032
  • Sample Detail(s): hauyne sample from Italy, Latium, Alban Hills, Ariccia, electron microprobe analysis; (Na4.52K1.42Ca1.89)(Al6.08Si5.92O24)[SO4]1.78Cl0.07, single crystal (determination of cell parameters), single crystal, 0.25×0.3×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.4Na4.5Ca1.9Al6Si6[SO4]1.8O24
  • Alphabetic Formula: Al6Ca1.9K1.4Na4.5O24[SO4]1.8Si6
  • Published Formula: (Na4.5K1.4Ca1.9)[Al6Si6O24][SO4]1.8
  • Refined Formula: Al6Ca1.89K1.39Na4.40O31.20S1.84Si6
  • Wyckoff Sequence: 218,ie5dca
  • Z Formula Units: 1
  • Density: ρ = 2.46 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_1001637

  • 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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