Inorganic Solid Phases

[Ca3.5Na0.96(H2O)39.9][Si28Al8O36] (Na0.65Ca2.25Al5.15Si12.85O36[H2O]17) Crystal Structure

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General Information

  • Phase Label(s): Na0.65Ca2.25Al5.15Si12.85O36[H2O]17
  • Structure Class(es): zeolite STI
  • Classification by Properties: –
  • Mineral Name(s): stilbite-Ca M
  • Pearson Symbol: mS152
  • Space Group: 12
  • Phase Prototype: Na0.65Ca2.25(Al0.29Si0.71)18O36[H2O]17
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Switzerland, Villigen, Paul Scherrer Institute, Swiss Light Source SLS, X04SA beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.1000 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.258
  • Sample Detail(s): stilbite sample from Ethiopia, Tigrai, Hashenge, sample prepared from stibite, inductive coupled plasma method; (Na0.94 K0.06)(Ca3.5 Mg0.18)Al8.6Si27.4O72; 0.81 wt.% B, 0.43 wt.% Fe, 0.51 wt.% Li, 0.11 wt.% Ti, trace amounts of Mn, Sr, Ba, Li, Nb, V and Zr, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.5Ca1.75Al4Si14O36[H2O]20
  • Alphabetic Formula: Al4Ca1.75[H2O]20Na0.5O36Si14
  • Published Formula: [Ca3.5Na0.96(H2O)39.9][Si28Al8O36]
  • Refined Formula: Al3.96Ca1.76H39.92Na0.24O55.96Si14.04
  • Wyckoff Sequence: 12,j19i9hg
  • Z Formula Units: 2
  • Density: ρ = 2.28 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
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_1642202

  • 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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