Inorganic Solid Phases

Cu33Na12Si130Al62O384 (Cu''Y) (Na3Cu8.25Al16Si32O96[OD]3.5) Crystal Structure

General Information

  • Phase Label(s): Na3Cu8.25Al16Si32O96[OD]3.5
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF800
  • Space Group: 227
  • Phase Prototype: Na12.75(Al0.27Si0.73)48O96[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide-D, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 69 variables, RP = 0.0191; wRP = 0.0217
  • Sample Detail(s): sample prepared from Na-Y zeolite, CuCl2, D2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na3Cu8.25Al16Si32O96[OD]3.5
  • Alphabetic Formula: Al16Cu8.25Na3O96[OD]3.5Si32
  • Published Formula: Cu33Na12Si130Al62O384 (Cu''Y)
  • Refined Formula: Al15.98Cu6.87D1.13Na2.86O97.13Si32.02
  • Wyckoff Sequence: 227,ihg4e4
  • Z Formula Units: 4
  • Density: ρ = 1.59 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_1520191

  • 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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