Inorganic Solid Phases

deuterated mordenite EZ351, Si/Al= 10.0 (D2.3[ND4]1.3Al3.6Si20.4O48, T = 2.25 K) Crystal Structure

General Information

  • Phase Label(s): D2.3[ND4]1.3Al3.6Si20.4O48
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS164
  • Space Group: 63
  • Phase Prototype: H2.3[NH4]1.4(Al0.15Si0.85)24O48
  • Measurement Detail(s): automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.239845 nm (determination of structural parameters), T = 2.25 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.023; wRP = 0.031
  • Sample Detail(s): sample prepared from mordenite, ND4Cl, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: D[ND4]1.2Al2.2Si21.8O48
  • Alphabetic Formula: Al2.2D[ND4]1.2O48Si21.8
  • Published Formula: deuterated mordenite EZ351, Si/Al= 10.0
  • Refined Formula: Al2.40D6.12N1.18O48Si21.60
  • Wyckoff Sequence: 63,h5g5f2edc3
  • Z Formula Units: 2
  • Density: ρ = 1.77 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_1023095

  • 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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