Inorganic Solid Phases

Na1.85K1.85Ca2.15[Al8Si16O48]·13.53H2O (K0.51Na0.72Ca1.37Al3.96Si8.04O24[H2O]6.7) Crystal Structure

General Information

  • Phase Label(s): K0.51Na0.72Ca1.37Al3.96Si8.04O24[H2O]6.7
  • Structure Class(es): zeolite LAU
  • Classification by Properties:
  • Mineral Name(s): laumontite
  • Pearson Symbol: mS104
  • Space Group: 12
  • Phase Prototype: K0.5Na0.7Ca1.4Al4Si8O24[H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (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; 137 variables; 1009 reflections; I > 2σ(I), R = 0.0279; wR = 0.0729
  • Sample Detail(s): laumontite sample from Ukraine, Crimea, Ukrainka (Kurtsy), electron microprobe analysis; Na1.24K1.59Ca2.55Fe3+0.03[Al8.17Si15.87O48][H2O]13.93, single crystal (determination of cell parameters), single crystal, 0.125×0.125×0.3 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.925Na0.925Ca1.075Al4Si8O24[H2O]6.765
  • Alphabetic Formula: Al4Ca1.075[H2O]6.765K0.925Na0.925O24Si8
  • Published Formula: Na1.85K1.85Ca2.15[Al8Si16O48]·13.53H2O
  • Refined Formula: Al4Ca1.08H13.48K0.92Na0.92O30.74Si8
  • Wyckoff Sequence: 12,j11i6hg
  • Z Formula Units: 2
  • Density: ρ = 2.31 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624174

  • 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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