Inorganic Solid Phases

stellerite (Ca8Al16Si56O144·58H2O) dehydrated; stellerite phase B (K0.04Na0.50Ca3.69Mg0.02Al7.96Si28.04O72) Crystal Structure

General Information

  • Phase Label(s): K0.04Na0.50Ca3.69Mg0.02Al7.96Si28.04O72
  • Structure Class(es): zeolite STI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS308
  • Space Group: 63
  • Phase Prototype: K0.04Na0.50Ca3.69Mg0.02(Al0.22Si0.78)36O72
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 512 reflections; I > 2σ(I), R = 0.084; wR = 0.086
  • Sample Detail(s): sample prepared from stellerite, thermogravimetry, wavelength-dispersive microprobe analysis; Si56.08Al15.92Mg0.04Ca7.36Na1.00K0.08O144[H2O]56.99 before dehydration, single crystal (determination of cell parameters), single crystal, 0.01×0.02×0.02 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.04Na0.50Ca3.69Mg0.02Al7.96Si28.04O72
  • Alphabetic Formula: Al7.96Ca3.69K0.04Mg0.02Na0.50O72Si28.04
  • Published Formula: stellerite (Ca8Al16Si56O144·58H2O) dehydrated; stellerite phase B
  • Refined Formula: Al7.96Ca2.78H2.56K0.03Mg0.02Na0.38O73.28Si28.04
  • Wyckoff Sequence: 63,h15g4f2ec2a
  • Z Formula Units: 2
  • Density: ρ = 1.97 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1324410

  • 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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