Database of Zeolite Structures
 
Framework Type FAU
Powder Diffraction Pattern for Na-Y, Siliceous
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: F d -3 m   (# 227)   
  Cell parameters: a = 24.2576 Å b = 24.2576Å c = 24.2576 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [[Al - Si - O]]-FAU
  Refinement: Neutron Rietveld refinement, Rexp=0.022, Rwp=0.031
  Comment: second origin choice in IT
  Reference: Hriljac, J.J., Eddy, M.M., Cheetham, A.K., Donohue, J.A. and Ray, G.J.
J. Solid State Chem., 106, 66-72 (1993)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  SI
Si
-0.05392 0.1253 0.03589 0.98 0.37
  O1
O
0 -0.10623 0.10623 1 1.16
  O2
O
-0.00323 -0.00323 0.14066 1 1.42
  O3
O
0.0757 0.0757 -0.03577 1 1.33
  O4
O
0.07063 0.07063 0.32115 1 0.74