Inorganic Solid Phases

Na6.66K1.90Mg0.03Ca5.04Fe0.05Al17.38Si54.26O144·53.78H2O (Na0.65Ca2.25Al5.15Si12.85O36[H2O]17) Crystal Structure

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; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 2464 reflections; I > 3σ(I), R = 0.0627; wR = 0.0601
  • Sample Detail(s): stilbite sample from, electron microprobe analysis; composition determined as Na6.66K1.90Mg0.03Ca5.04Fe0.05Al17.38Si54.26O144[H2O]53.78, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.95Ca1.25Al4.45Si13.55O36[H2O]13.5
  • Alphabetic Formula: Al4.45Ca1.25[H2O]13.5Na1.95O36Si13.55
  • Published Formula: Na6.66K1.90Mg0.03Ca5.04Fe0.05Al17.38Si54.26O144·53.78H2O
  • Refined Formula: Al4.32Ca1.70H31.20Na1.06O51.60Si13.68
  • Wyckoff Sequence: 12,j15i7hg
  • Z Formula Units: 2
  • Density: ρ = 2.12 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_1613515

  • 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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