Inorganic Solid Phases

Na54Si138Al54O384·11CFCl3 (Na13.5Al13.5Si34.5O96[CCl3F]2.75, T = 20 K) Crystal Structure

General Information

  • Phase Label(s): Na13.5Al13.5Si34.5O96[CCl3F]2.75
  • Structure Class(es): zeolite FAU
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF1152
  • Space Group: 227
  • Phase Prototype: Na13.5(Al0.28Si0.72)48O96[CCl3F]2.75
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, G4.2 (determination of structural parameters), neutrons; λ = 0.23433 nm (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0466; wRP = 0.0593; RB = 0.0555
  • Sample Detail(s): sample prepared from Na54Si138Al54O384 (NaY zeolite), CFCl3, mass change after combustion; Na54Si138Al54O384[CFCl3]11, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na13.5Al13.5Si34.5O96[CCl3F]2.75
  • Alphabetic Formula: Al13.5[CCl3F]2.75Na13.5O96Si34.5
  • Published Formula: Na54Si138Al54O384·11CFCl3
  • Refined Formula: Al13.44C3.22Cl9.22F3.22Na11.84O96Si34.56
  • Wyckoff Sequence: 227,i2hg6fec
  • Z Formula Units: 4
  • Density: ρ = 1.56 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
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_1220586

  • 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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