Inorganic Solid Phases

(Ca2.55K1.59Na1.24Fe0.03)[Al8.19Si15.87]O48·13.93H2O; primary leonhardtite (K1.63Na1.28Ca2.63Al8.17Si15.83O48[H2O]14) Crystal Structure

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General Information

  • Phase Label(s): K1.63Na1.28Ca2.63Al8.17Si15.83O48[H2O]14
  • Structure Class(es): zeolite LAU
  • Classification by Properties: –
  • Mineral Name(s): starkeyite
  • Pearson Symbol: mP98
  • Space Group: 13
  • Phase Prototype: K1.6Na1.2Ca2.6Al8Si16O48[H2O]14
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 231 variables; 3952 reflections, wR = 0.097
  • Sample Detail(s): leonhardtite sample from Ukraine, Crimea, Ukrainka (Kurtsy), sample prepared from primary leonhardtite, electron microprobe analysis, thermogravimetry; (Ca2.55K1.59Na1.24Fe0.03)[Al8.19Si15.87]O48[H2O]13.93, single crystal (determination of cell parameters), single crystal, 0.25×0.35×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.63Na1.28Ca2.63Al8.17Si15.83O48[H2O]14
  • Alphabetic Formula: Al8.17Ca2.63[H2O]14K1.63Na1.28O48Si15.83
  • Published Formula: (Ca2.55K1.59Na1.24Fe0.03)[Al8.19Si15.87]O48·13.93H2O; primary leonhardtite
  • Refined Formula: Al8Ca3.16H18.10K0.76Na0.89O57.05Si16
  • Wyckoff Sequence: 13,g23fe2
  • Z Formula Units: 1
  • Density: ρ = 2.32 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_1601623

  • 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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