Inorganic Solid Phases

Pd21Tl50Si100Al92O384 zeolite X (Tl12.5Pd5.25Al23Si25O96) Crystal Structure

General Information

  • Phase Label(s): Tl12.5Pd5.25Al23Si25O96
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF880
  • Space Group: 203
  • Phase Prototype: Ca4.5Tl14Al23Si25O96
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 280 reflections; I > 3σ(I), R = 0.043; wR = 0.045
  • Sample Detail(s): sample prepared from Na92Si100Al92O384, Pd[NH3]4Cl2, TlNO3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Tl12.5Pd5.25Al23Si25O96
  • Alphabetic Formula: Al23O96Pd5.25Si25Tl12.5
  • Published Formula: Pd21Tl50Si100Al92O384 zeolite X
  • Refined Formula: Al22.99O96Pd5.25Si25.01Tl12.50
  • Wyckoff Sequence: 203,g8e3c
  • Z Formula Units: 4
  • Density: ρ = 2.57 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]
2U12 [nm2]
2U13 [nm2]
2U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1920358

  • 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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