Inorganic Solid Phases

Na3.8Ca6.8K0.4(Al18Si36.1O108)·51.4H2O (K0.3Na0.7Ca2.3Al5.6Si12.4O36[H2O]17.5) Crystal Structure

General Information

  • Phase Label(s): K0.3Na0.7Ca2.3Al5.6Si12.4O36[H2O]17.5
  • Structure Class(es): zeolite LEV
  • Classification by Properties:
  • Mineral Name(s): lévyne-Ca
  • Pearson Symbol: hR255
  • Space Group: 166
  • Phase Prototype: K0.3Na0.8Ca2.3(Al0.32Si0.68)18O36[H2O]18
  • 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, least-squares refinement; 2330 reflections, R = 0.0603
  • Sample Detail(s): levyne sample from Iceland, Hvalfjördur, Na3.8Ca6.8K0.4Al18Si36.1O108[H2O]51.4, single crystal (determination of cell parameters), single crystal, 0.17×0.21×0.23 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.1Na1.3Ca2.3Al6Si12O36[H2O]17.1
  • Alphabetic Formula: Al6Ca2.3[H2O]17.1K0.1Na1.3O36Si12
  • Published Formula: Na3.8Ca6.8K0.4(Al18Si36.1O108)·51.4H2O
  • Refined Formula: Al5.70Ca1.64H28.20K0.14Na1.60O50.10Si12.30
  • Wyckoff Sequence: 166,i3h7gfc4a
  • Z Formula Units: 3
  • Density: ρ = 2.14 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
U [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_1813516

  • 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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