Inorganic Solid Phases

Na6.0(2)Al6Si42O96·18.4(3)H2O (Na3Al3Si21O48[H2O]9.2) Crystal Structure

General Information

  • Phase Label(s): Na3Al3Si21O48[H2O]9.2
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s): mordenite
  • Pearson Symbol: oS172
  • Space Group: 63
  • Phase Prototype: Na3(Al0.125Si0.875)24O48[H2O]9.2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Co Kα1; λ = 0.1788965 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 39 variables; 227 reflections, RP = 0.161; wRP = 0.133
  • Sample Detail(s): mordenite sample from, chemical analysis; SiO2/Al2O3 ratio 19.0, 5.00 wt.% Na2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3Al3Si21O48[H2O]9.2
  • Alphabetic Formula: Al3[H2O]9.2Na3O48Si21
  • Published Formula: Na6.0(2)Al6Si42O96·18.4(3)H2O
  • Refined Formula: Al3H18.40Na3.02O57.20Si21
  • Wyckoff Sequence: 63,h5g6fedc4a
  • Z Formula Units: 2
  • Density: ρ = 2.01 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1613443

  • 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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