Inorganic Solid Phases

Na0.75(Ca3.78Mg0.42)(Al9.38Si26.62)O72·32.50H2O (Na0.6Ca1.9Mg0.2Al4.7Si13.3O36[H2O]16) Crystal Structure

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General Information

  • Phase Label(s): Na0.6Ca1.9Mg0.2Al4.7Si13.3O36[H2O]16
  • Structure Class(es): zeolite STI
  • Classification by Properties: –
  • Mineral Name(s): stilbite-Ca O2
  • Pearson Symbol: oF352
  • Space Group: 69
  • Phase Prototype: Na0.6Ca1.9Mg0.2(Al0.26Si0.74)18O36[H2O]16
  • Measurement Detail(s): automatic diffractometer; 21 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 933 reflections; I > 3σ(I), R = 0.088
  • Sample Detail(s): stilbite sample from India, Maharashtra State, Pune (Poona), Parshan, electron microprobe analysis; Na0.75(Ca3.78Mg0.42)(Al9.38Si26.62)O72[H2O]32.51, twinned crystal (determination of cell parameters), twinned crystal, 0.056×0.076×0.095 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.6Ca1.9Mg0.2Al4.7Si13.3O36[H2O]16
  • Alphabetic Formula: Al4.7Ca1.9[H2O]16Mg0.2Na0.6O36Si13.3
  • Published Formula: Na0.75(Ca3.78Mg0.42)(Al9.38Si26.62)O72·32.50H2O
  • Refined Formula: Al4.68Ca1.80H29.12Mg0.20Na0.72O50.56Si13.32
  • Wyckoff Sequence: 69,p6o3n3m2ihgf
  • Z Formula Units: 4
  • Density: ρ = 2.19 Mg·m−3
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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_1618074

  • 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)

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