Inorganic Solid Phases

D-mordenite; Na8Al8Si40O96 + 4H2O (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; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 293(2) K (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 on F2; 109 variables; 980 reflections; I > 2σ(I), R = 0.0589; wR = 0.1789
  • Sample Detail(s): sample prepared from NaOH, NaAlO2, SiO2, energy-dispersive X-ray analysis; Si/Al ratio 5.2/1, single crystal (determination of cell parameters), single crystal, 0.04×0.04×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na4Al4Si20O48[H2O]2
  • Alphabetic Formula: Al4[H2O]2Na4O48Si20
  • Published Formula: D-mordenite; Na8Al8Si40O96 + 4H2O
  • Refined Formula: Al4.08H4Na4.02O50Si19.92
  • Wyckoff Sequence: 63,h5g6fedc4a
  • Z Formula Units: 2
  • Density: ρ = 1.88 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_1932839

  • 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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