Inorganic Solid Phases

H-ZSM-5, Al3.8Si92.2O192 (H0.04Al0.04Si0.96O2 MFI) Crystal Structure

General Information

  • Phase Label(s): H0.04Al0.04Si0.96O2 MFI
  • Structure Class(es): zeolite MFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP288
  • Space Group: 62
  • Phase Prototype: SiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Pohang Accelerator Laboratory PAL, PLS reactor, 4A beamline, MXW (determination of structural parameters), X-rays, synchrotron; λ = 0.077490 nm (determination of cell and structural parameters), T = 294(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 333 variables; 4448 reflections; I > 2σ(I), R = 0.0843; wR = 0.2913
  • Sample Detail(s): sample prepared from Al2O3[H2O]6, SiO2, energy-dispersive X-ray analysis; Si/Al ratio 24.1/1; amounts of ferrierite (< 16.7 wt.%), twinned crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.04Al0.04Si0.96O2
  • Alphabetic Formula: Al0.04H0.04O2Si0.96
  • Published Formula: H-ZSM-5, Al3.8Si92.2O192
  • Refined Formula: Al0.04O2Si0.96
  • Wyckoff Sequence: 62,d34c4
  • Z Formula Units: 96
  • Density: ρ = 1.78 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_1127981

  • 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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