Inorganic Solid Phases

(Na7.14Ca0.17)(Al7.90Si28.20)O72·24.69H2O (Na3.7Ca0.1Al3.9Si14.1O36[H2O]12.35) Crystal Structure

General Information

  • Phase Label(s): Na3.7Ca0.1Al3.9Si14.1O36[H2O]12.35
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s): stellerite
  • Pearson Symbol: oF352
  • Space Group: 69
  • Phase Prototype: Na3.7Ca0.1(Al0.22Si0.78)18O36[H2O]12.35
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 897 reflections; I > 3σ(I), R = 0.078
  • Sample Detail(s): sample prepared from stellerite, NaCl, electron microprobe analysis, thermogravimetry; Ca3.78(Mg0.03Sr0.01Na0.17K0.14)(Al7.93Fe0.06Si28.02)O72[H2O]28.10, single crystal (determination of cell parameters), single crystal, 0.12×0.17×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3.7Ca0.1Al3.9Si14.1O36[H2O]12.35
  • Alphabetic Formula: Al3.9Ca0.1[H2O]12.35Na3.7O36Si14.1
  • Published Formula: (Na7.14Ca0.17)(Al7.90Si28.20)O72·24.69H2O
  • Refined Formula: Al3.94H19.68Na3.76O45.84Si14.06
  • Wyckoff Sequence: 69,p5o5n3m2ihgf
  • Z Formula Units: 4
  • Density: ρ = 2.08 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_1920441

  • 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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