Inorganic Solid Phases

MCM-68, hydrogenated, dehydrated (H11.4Al11.4Si100.6O224 MMSE) Crystal Structure

General Information

  • Phase Label(s): H11.4Al11.4Si100.6O224 MMSE
  • Structure Class(es): zeolite MSE
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP336
  • Space Group: 136
  • Phase Prototype: H11.4Al11.4Si100.6O224
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, synchrotron; λ = 0.086761 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.1371
  • Sample Detail(s): sample prepared from SiO2, Al2O3, KOH, N,N,N',N'-tetraethyl bicyclo[2.2.2]-oct-7-ene-2R,3S:5R,6S-dipyrrolidium diiodide, K0.84Al11.4Si100.6O224, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H11.4Al11.4Si100.6O224
  • Alphabetic Formula: Al11.4H11.4O224Si100.6
  • Published Formula: MCM-68, hydrogenated, dehydrated
  • Refined Formula: Al11.42O224Si100.58
  • Wyckoff Sequence: 136,k16j7i2e2
  • Z Formula Units: 1
  • Density: ρ = 1.65 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213563

  • 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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