Database of Zeolite Structures
 
Framework Type FAU
Powder Diffraction Pattern for Ultrastable Y, Dehydrated Dealuminated
Input Parameters
  Wavelength:  or
  2θ range:
  Step size:
  Polarization factor:
  Background:
  Reference peak is
    peak closest to °2θ
    reflection (hkl)
       scaled to
  Intensity axis:
     
Peak shape
  Pseudo-Voigt: (1-n)Gaussian + n Lorentzian
  FWHM = sqrt (U + V tan θ + W tan2θ)
  Mixing parameter (n): %
  Peak range: FWHM
  Peak width:
    set UVW at: U =   V =   W =
    FWHM =
    FWHM =
  FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern

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Crystal Data
  Space Group: F d -3 m   (# 227)   
  Cell parameters: a = 24.188 Å b = 24.188Å c = 24.188 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si139.7Al52.3O384]-FAU
  Refinement: Neutron Rietveld refinement, Rwp = 0.1041, RI = 0.0561
  Comment: second origin choice in IT
  Reference: Parise, J.B., Corbin, D.R., Abrams, L. and Cox, D.E.
Acta Crystallogr., C40, 1493-1497 (1984)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.1257 0.946 0.0359 0.9153 3.1
  Al1
Al
0.1257 0.946 0.0359 0.0847 3.1
  Al2
Al
0.125 0.125 0.125 0.7 3
  O1
O
0.1076 -0.1076 0 1 4.5
  O2
O
0.2539 0.2539 0.1406 1 4.5
  O3
O
0.1747 0.1747 0.9634 1 4.5
  O4
O
0.1798 0.1798 0.3217 1 4.5
  O5
O
0.085 0.085 0.085 0.7 3


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