Inorganic Solid Phases

(Ca4.03Mg0.01Na0.03K0.11)[Si27.81Al8.19O72]·28.6H2O (K0.055Na0.015Ca2.015Mg0.005Al4.095Si13.905O36[H2O]14.3) Crystal Structure

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General Information

  • Phase Label(s): K0.055Na0.015Ca2.015Mg0.005Al4.095Si13.905O36[H2O]14.3
  • Structure Class(es): zeolite STI
  • Classification by Properties: –
  • Mineral Name(s): stellerite
  • Pearson Symbol: oF368
  • Space Group: 69
  • Phase Prototype: K0.07Na0.09Ca1.9(Al0.22Si0.78)18O36[H2O]14.05
  • 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 = 0.0888498 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0201; wRP = 0.0278; RB = 0.1383
  • Sample Detail(s): stellerite sample from Sweden, Lapland, Svappavaara, Leveäniemi mine, sample prepared from stellerite, electron microprobe analysis, gravimetry; (Ca4.03Mg0.01Na0.03K0.11)[Si27.81Al8.19O72][H2O]28.6, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.055Na0.015Ca2.015Mg0.005Al4.095Si13.905O36[H2O]14.3
  • Alphabetic Formula: Al4.095Ca2.015[H2O]14.3K0.055Mg0.005Na0.015O36Si13.905
  • Published Formula: (Ca4.03Mg0.01Na0.03K0.11)[Si27.81Al8.19O72]·28.6H2O
  • Refined Formula: Ca2H28.83O50.42Si18
  • Wyckoff Sequence: 69,p6o4n3m2ihgf
  • Z Formula Units: 4
  • Density: ρ = 2.15 Mg·m−3
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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_1627598

  • 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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