Inorganic Solid Phases

Na6Al6.02Si42.02O96·19H2O (Na3Al3Si21O48[H2O]9.5, p = 0.98(2) GPa) Crystal Structure

General Information

  • Phase Label(s): Na3Al3Si21O48[H2O]9.5
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS200
  • Space Group: 63
  • Phase Prototype: Na3(Al0.125Si0.875)24O48[H2O]9.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, PETRA III reactor, P02.2 beamline, ECB (determination of structural parameters), X-rays, synchrotron; λ = 0.028968 nm (determination of cell and structural parameters), p = 0.98(2) GPa (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; 59 variables; 502 reflections; I > 3σ(I), R = 0.1130
  • Sample Detail(s): electron microprobe analysis; Na6Al6.02Si42.02O96[H2O]19, single crystal (determination of cell parameters), single crystal, 0.030×0.030×0.040 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na3Al3Si21O48[H2O]9.5
  • Alphabetic Formula: Al3[H2O]9.5Na3O48Si21
  • Published Formula: Na6Al6.02Si42.02O96·19H2O
  • Refined Formula: Al3H11.80Na3O53.90Si21
  • Wyckoff Sequence: 63,h6g6fedc7a
  • Z Formula Units: 2
  • Density: ρ = 2.04 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_1237743

  • 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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