Inorganic Solid Phases

Cu24Na5D17Cl15Si137Al55O384·xD2O (D4.25Na1.25Cu6Al13.75Si34.25Cl3.75O96[D2O]3, T = 15 K) Crystal Structure

General Information

  • Phase Label(s): D4.25Na1.25Cu6Al13.75Si34.25Cl3.75O96[D2O]3
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF832
  • Space Group: 227
  • Phase Prototype: H4.25Na1.25Cu6(Al0.29Si0.71)48Cl3.75O96[H2O]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Intense Pulsed Neutron Source, GPPD (determination of structural parameters), neutrons (determination of cell and structural parameters), T = 15 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, chloride, hydrate-D
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 50 variables; 1687 reflections, RP = 0.0198; wRP = 0.0281
  • Sample Detail(s): sample prepared from [NH4]55Si137Al55O384, CuCl2[H2O]2, gravimetry, inductive coupled plasma method; Si/Al ratio 2.66; 23.5 Cu, 4.2(5) Na per unit cell, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: D4.25Na1.25Cu6Al13.75Si34.25Cl3.75O96[D2O]3
  • Alphabetic Formula: Al13.75Cl3.75Cu6D4.25[D2O]3Na1.25O96Si34.25
  • Published Formula: Cu24Na5D17Cl15Si137Al55O384·xD2O
  • Refined Formula: Al13.73Cu6D6Na1.25O99Si34.27
  • Wyckoff Sequence: 227,ihg5edc
  • Z Formula Units: 4
  • Density: ρ = 1.57 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_1001584

  • 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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