Inorganic Solid Phases

|Co30.5Na6(H3O)4(H2O)4H4|[Si117Al75O384]-FAU; Co2+ exchanged zeolite Y (HNa1.5[H3O]Co7.625Al18.75Si29.25O96[H2O], T = 100(1) K) Crystal Structure

General Information

  • Phase Label(s): HNa1.5[H3O]Co7.625Al18.75Si29.25O96[H2O]
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF1120
  • Space Group: 227
  • Phase Prototype: HNa1.5[H3O]Co7.625(Al0.39Si0.61)48O96[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; South Korea, Pohang Accelerator Laboratory PAL, PLS reactor, 6B beamline, MXI (determination of structural parameters), X-rays, synchrotron; λ = 0.09000 nm (determination of cell and structural parameters), T = 100(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 59 variables; 565 reflections; F > 4σ(F), R = 0.062; wR = 0.191
  • Sample Detail(s): sample prepared from Na75[Si117Al75O384], Co[NO3]2, single crystal (determination of cell parameters), single crystal, 0.28 mm (determination of structural parameters)

Substance Summary

  • Standard Formula: HNa1.5[H3O]Co7.625Al18.75Si29.25O96[H2O]
  • Alphabetic Formula: Al18.75Co7.625H[H2O][H3O]Na1.5O96Si29.25
  • Published Formula: |Co30.5Na6(H3O)4(H2O)4H4|[Si117Al75O384]-FAU; Co2+ exchanged zeolite Y
  • Refined Formula: Al18.77Co7.52H5.04Na1.44O98Si29.23
  • Wyckoff Sequence: 227,i3hg3e5
  • Z Formula Units: 4
  • Density: ρ = 1.49 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_1640058

  • 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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