Inorganic Solid Phases

Cs3.8Al3.8Si92.2O192, fully Cs+-exchanged ZSM-5 (Cs3.8Al3.8Si92.2O192) Crystal Structure

General Information

  • Phase Label(s): Cs3.8Al3.8Si92.2O192
  • Structure Class(es): zeolite MFI
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP352
  • Space Group: 62
  • Phase Prototype: Cs3.8(Al0.04Si0.96)96O192
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Pohang Accelerator Laboratory PAL, PLS reactor (determination of structural parameters), X-rays, synchrotron; λ = 0.09 nm (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 381 variables; 381 reflections; F > 4σ(F), R = 0.076; wR = 0.288
  • Sample Detail(s): sample prepared from Et3N[HF]3, tetrapropylammonium bromide, pyridine, propylamine, pseudoboehmite, SiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs3.8Al3.8Si92.2O192
  • Alphabetic Formula: Al3.8Cs3.8O192Si92.2
  • Published Formula: Cs3.8Al3.8Si92.2O192, fully Cs+-exchanged ZSM-5
  • Refined Formula: Al3.84Cs3.48O192Si92.16
  • Wyckoff Sequence: 62,d39c10
  • Z Formula Units: 1
  • Density: ρ = 1.95 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_1633539

  • 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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