Inorganic Solid Phases

Ca0.95Na0.06[Al1.96Si4.04O12]·2H2O (Na0.24Ca3.8Al7.84Si16.16O48[H2O]8, T = 443 K) Crystal Structure

General Information

  • Phase Label(s): Na0.24Ca3.8Al7.84Si16.16O48[H2O]8
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s): wairakite high
  • Pearson Symbol: tI184
  • Space Group: 142
  • Phase Prototype: Na7.7(Al0.32Si0.68)24O48[H2O]8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 443 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, full-matrix least-squares refinement; 57 variables; 916 reflections; F > 4σ(F), R = 0.027
  • Sample Detail(s): wairakite sample from New Zealand, North Island, Wairakei, sample prepared from wairakite, electron microprobe analysis, thermogravimetry; Ca0.97Na0.06K0.03[Al1.95Si4.04O12][H2O]2.06, single crystal (determination of cell parameters), single crystal, 0.10×0.10×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.24Ca3.8Al7.84Si16.16O48[H2O]8
  • Alphabetic Formula: Al7.84Ca3.8[H2O]8Na0.24O48Si16.16
  • Published Formula: Ca0.95Na0.06[Al1.96Si4.04O12]·2H2O
  • Refined Formula: Al8Ca3.71H16Na0.24O56Si16
  • Wyckoff Sequence: 142,g4f2eb
  • Z Formula Units: 2
  • Density: ρ = 2.24 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_1601513

  • 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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