Inorganic Solid Phases

Ca3.1Na1.1K0.1Al7.6Si28.5O72·24H2O (Na0.6Ca1.5Al3.6Si14.4O36[H2O]12) Crystal Structure

General Information

  • Phase Label(s): Na0.6Ca1.5Al3.6Si14.4O36[H2O]12
  • Structure Class(es): zeolite HEU
  • Classification by Properties:
  • Mineral Name(s): heulandite-Ca
  • Pearson Symbol: mS150
  • Space Group: 12
  • Phase Prototype: Na0.6Ca1.5(Al0.3Si0.7)12Si6O36[H2O]12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens (determination of structural parameters), X-rays (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; 1863 reflections; I > 3σ(I), R = 0.041
  • Sample Detail(s): heulandite sample from Azerbaijan, chemical analysis; 62.25 wt.% SiO2, 14.1 wt.% Al2O3, 6.30 wt.% CaO, 1.20 wt.% Na2O, 0.20 wt.% K2O, 15.7 wt.% H2O (K0.1Na1.1Ca3.1Al7.6Si28.5O72[H2O]24), single crystal (determination of cell parameters), single crystal, 0.05×0.2×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.6Ca1.5Al3.6Si14.4O36[H2O]12
  • Alphabetic Formula: Al3.6Ca1.5[H2O]12Na0.6O36Si14.4
  • Published Formula: Ca3.1Na1.1K0.1Al7.6Si28.5O72·24H2O
  • Refined Formula: Al3.60Ca1.45H20.60Na0.55O46.30Si14.40
  • Wyckoff Sequence: 12,j14i7h2b
  • Z Formula Units: 2
  • Density: ρ = 2.15 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_1905897

  • 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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