Inorganic Solid Phases

Ca7.19Na1.12K0.01(Si32.59Al15.38)O96·16H2O (Na0.4Ca3.8Al8Si16O48[H2O]2) Crystal Structure

General Information

  • Phase Label(s): Na0.4Ca3.8Al8Si16O48[H2O]2
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s): wairakite low
  • Pearson Symbol: mS168
  • Space Group: 15
  • Phase Prototype: Na0.24Ca3.8(Al0.98Si0.02)8Si16O48[H2O]8
  • Measurement Detail(s): automatic diffractometer; 30 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; twinning mechanism studied, least-squares refinement; 1561 reflections; F2 > 3σ(F2), R = 0.039; wR = 0.0362
  • Sample Detail(s): wairakite sample from Japan, Miyagi Prefecture, Onikobe, electron microprobe analysis; 55.78 wt.% SiO2, 22.33 wt.% Al2O3, 11.49 wt.% CaO, 0.99 wt.% Na2O and 0.02 wt.% K2O, single crystal (determination of cell parameters), single crystal, 0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca3.6Al7.7Si16.3O48[H2O]8
  • Alphabetic Formula: Al7.7Ca3.6[H2O]8Na0.5O48Si16.3
  • Published Formula: Ca7.19Na1.12K0.01(Si32.59Al15.38)O96·16H2O
  • Refined Formula: Al7.64Ca3.60H16Na0.55O56Si16.36
  • Wyckoff Sequence: 15,f22e2
  • Z Formula Units: 2
  • Density: ρ = 2.27 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_1615916

  • 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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