Inorganic Solid Phases

Ca8Al16Si56O144·58H2O, Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144[H2O]56.99 (Ca2Al4Si14O36[H2O]14.5, T = 302 K) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ca2Al4Si14O36[H2O]14.5
  • Structure Class(es): zeolite STI
  • Classification by Properties: –
  • Mineral Name(s): stellerite
  • Pearson Symbol: oF368
  • Space Group: 69
  • Phase Prototype: Ca2Al4Si14O36[H2O]14.5
  • 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 = 302 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; 76 variables, RP = 0.0474; wRP = 0.0643
  • Sample Detail(s): stellerite sample from Italy, Sardinia, Seremida, chemical analysis; Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144[H2O]56.99; trace amounts of calcite (2.5 wt.%) and quartz (0.5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Al4Si14O36[H2O]14.5
  • Alphabetic Formula: Al4Ca2[H2O]14.5O36Si14
  • Published Formula: Ca8Al16Si56O144·58H2O, Na1.00K0.08Mg0.04Ca7.36(Al15.92Si56.08)O144[H2O]56.99
  • Refined Formula: Al3.98Ca1.78H28.96O50.48Si14.02
  • Wyckoff Sequence: 69,p7o2n3m2ihgf
  • Z Formula Units: 4
  • Density: ρ = 2.14 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1212810

  • 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

    Download this citation

    Citation copied