Inorganic Solid Phases

Ca8Al16Si56O144·2.5H2O, Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144·2.5H2O (Ca4Al8Si28O72[H2O]1.25, T = 740 K) Crystal Structure

General Information

  • Phase Label(s): Ca4Al8Si28O72[H2O]1.25
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS256
  • Space Group: 63
  • Phase Prototype: Ca4Al8Si28O72[H2O]1.25
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, GILDA, BM08 (determination of structural parameters), X-rays, synchrotron; λ = 0.095337 nm (determination of cell and structural parameters), T = 740 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, Rietveld refinement; 78 variables, RP = 0.0424; wRP = 0.0597
  • Sample Detail(s): sample prepared from stellerite, chemical analysis; Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144[H2O]2.5; trace amounts of calcite (2.5 wt.%) and quartz (0.5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4Al8Si28O72[H2O]1.25
  • Alphabetic Formula: Al8Ca4[H2O]1.25O72Si28
  • Published Formula: Ca8Al16Si56O144·2.5H2O, Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144·2.5H2O
  • Refined Formula: Al7.96Ca2.56H2.44O76.26Si28.04
  • Wyckoff Sequence: 63,h12g4f2ec2
  • Z Formula Units: 2
  • Density: ρ = 1.91 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_1212812

  • 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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