Inorganic Solid Phases

(Ca7.12Na1.21K0.03Sr0.02)(Al15.74Si32.31O96)·16.43H2O (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 (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays, synchrotron; λ = 0.07 nm (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement; 101 variables, RP = 0.0098; wRP = 0.0167
  • Sample Detail(s): wairakite sample from New Zealand, North Island, Wairakei, electron microprobe analysis; (Ca7.12Na1.21K0.03Sr0.02)(Al15.74Si32.31O96)[H2O]16.43, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.6Ca3.7Al8Si16O48[H2O]8.2
  • Alphabetic Formula: Al8Ca3.7[H2O]8.2Na0.6O48Si16
  • Published Formula: (Ca7.12Na1.21K0.03Sr0.02)(Al15.74Si32.31O96)·16.43H2O
  • Refined Formula: Al7.92Ca3.76H16Na0.56O56Si16.08
  • Wyckoff Sequence: 15,f21e
  • Z Formula Units: 2
  • Density: ρ = 2.28 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_1221564

  • 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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