Inorganic Solid Phases

Na2K[Al3Si3O12]·0.5D2O (K4Na8Al12[SiO4]12[D2O]2, T = 4 K) Crystal Structure

General Information

  • Phase Label(s): K4Na8Al12[SiO4]12[D2O]2
  • Structure Class(es): zeolite JBW
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP92
  • Space Group: 33
  • Phase Prototype: K4Na8Al12[SiO4]12[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Lucas Heights, Australian Nuclear Science and Technology Organisation, HIFAR reactor, HRPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, hydrate-D
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0884; wRP = 0.0909; RB = 0.0746
  • Sample Detail(s): sample prepared from kaoline, KOD, NaOD, D2O, scanning electron microscopy, thermogravimetry; Na, K, Al, Si content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K4Na8Al12[SiO4]12[D2O]2
  • Alphabetic Formula: Al12[D2O]2K4Na8[SiO4]12
  • Published Formula: Na2K[Al3Si3O12]·0.5D2O
  • Refined Formula: Al12D4.72K4Na8O50.36Si12
  • Wyckoff Sequence: 33,a23
  • Z Formula Units: 1
  • Density: ρ = 2.37 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1201372

  • 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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