Inorganic Solid Phases

acid-exchanged mordenite (H3.7Na0.3Al4Si20O48) Crystal Structure

General Information

  • Phase Label(s): H3.7Na0.3Al4Si20O48
  • Structure Class(es): zeolite MOR
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oS148
  • Space Group: 63
  • Phase Prototype: H3.7Na0.3(Al0.17Si0.83)24O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1073 reflections; F2 > 2σ(F2), R = 0.05; wR = 0.04
  • Sample Detail(s): mordenite sample from U.S.A. Idaho, Challis Valley, sample prepared from mordenite, NaCl2, electron microprobe analysis; 12.3 wt.% Al2O3, 67.6 wt.% SiO2, 0.1 wt.% K2O, single crystal (determination of cell parameters), single crystal, 0.08×0.08×0.5 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3.7Na0.3Al4Si20O48
  • Alphabetic Formula: Al4H3.7Na0.3O48Si20
  • Published Formula: acid-exchanged mordenite
  • Refined Formula: Al4.01Na0.30O48Si19.99
  • Wyckoff Sequence: 63,h5g5edc2a
  • Z Formula Units: 2
  • Density: ρ = 1.73 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1411563

  • 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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