Inorganic Solid Phases

Pb54(H3O)12(OH)32Al88Si104O384·nH2O ([H3O]3Al22Pb13.5Si26O96[OH]8[H2O]54, T = 263 K) Crystal Structure

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General Information

  • Phase Label(s): [H3O]3Al22Pb13.5Si26O96[OH]8[H2O]54
  • Structure Class(es): zeolite FAU
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF1568
  • Space Group: 227
  • Phase Prototype: [H3O]3Pb13.5(Al0.46Si0.54)48O96[OH]8[H2O]54
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Italy, Trieste, Elettra Synchrotron Light Source (determination of structural parameters), X-rays, synchrotron; λ = 0.0800 nm (determination of cell and structural parameters), T = 263 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 480 reflections; I > 3σ(I), R = 0.041
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.030 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [H3O]3Al22Pb13.5Si26O96[OH]8[H2O]54
  • Alphabetic Formula: Al22[H2O]54[H3O]3O96[OH]8Pb13.5Si26
  • Published Formula: Pb54(H3O)12(OH)32Al88Si104O384·nH2O
  • Refined Formula: Al21.98H125.02O160.99Pb14.05Si26.02
  • Wyckoff Sequence: 227,i3hg8e4
  • Z Formula Units: 4
  • Density: ρ = 2.90 Mg·m−3
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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_1001638

  • 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)

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