Inorganic Solid Phases

Cu-SSZ-13-2, SSZ= Al/Si=22, 2.5 wt.% Cu2+ (H0.46Cu0.05Al0.56Si11.44O24[H2O]0.18 rhom2, T = 373 K) Crystal Structure

General Information

  • Phase Label(s): H0.46Cu0.05Al0.56Si11.44O24[H2O]0.18 rhom2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR153
  • Space Group: 166
  • Phase Prototype: H0.42Cu0.07(Al0.05Si0.95)12O24[H2O]0.38
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays; λ = 0.069811 nm (determination of cell parameters), X-rays, synchrotron; λ = 0.069811 nm (determination of structural parameters), T = 373 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 29 variables, RP = 0.0769; wRP = 0.1249; RB = 0.0253
  • Sample Detail(s): sample prepared from SSZ-13 zeolite (Si/Al=15), copper sulphate, inductive coupled plasma method; Si/Al ratio 22; 2.5 wt.% Cu, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.42Cu0.07Al0.56Si11.44O24[H2O]0.38
  • Alphabetic Formula: Al0.56Cu0.07H0.42[H2O]0.38O24Si11.44
  • Published Formula: Cu-SSZ-13-2, SSZ= Al/Si=22, 2.5 wt.% Cu2+
  • Refined Formula: Al0.56Cu0.07H0.77O24.38Si11.44
  • Wyckoff Sequence: 166,ih4gfe
  • Z Formula Units: 3
  • Density: ρ = 1.55 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_1041593

  • 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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