Inorganic Solid Phases

Cu-SSZ-13 zeolite, CO2/Cu= 0.5 (Cu0.5AlSi11O24[OCO]0.5, T = 4 K) Crystal Structure

General Information

  • Phase Label(s): Cu0.5AlSi11O24[OCO]0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR141
  • Space Group: 166
  • Phase Prototype: Cu0.5(Al0.083Si0.917)12O24[OCO]0.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.20787(2) nm (determination of cell and structural parameters), T = 4 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from CuSO4, HNO3, NH4-SSZ-13, energy-dispersive X-ray analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu0.5AlSi11O24[OCO]0.25
  • Alphabetic Formula: AlCu0.5O24[OCO]0.25Si11
  • Published Formula: Cu-SSZ-13 zeolite, CO2/Cu= 0.5
  • Refined Formula: AlC0.27Cu0.50O24.54Si11
  • Wyckoff Sequence: 166,ih3gfec
  • Z Formula Units: 3
  • Density: ρ = 1.58 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_1935305

  • 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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