Database of Zeolite Structures
 
Framework Type FAU
Powder Diffraction Pattern for Na-X, Dehydrated
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   (# 203)   
  Cell parameters: a = 25.099 Å b = 25.099Å c = 25.099 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si104Al88O384]-FAU
  Refinement: X-ray single crystal refinement, R=0.046
  Comment: second origin choice in IT
  Reference: Olson, D.H.
Zeolites, 15, 439-443 (1995)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Na1
Na
0 0 0 0.18 3.18
  Na2
Na
0.0454 0.0454 0.0454 0.66 0.87
  Na3
Na
0.056 0.056 0.056 0.25 1.26
  Na4
Na
0.2292 0.2292 0.2292 0.97 2.53
  Na5
Na
0.423 0.326 0.158 0.11 2.32
  Na6
Na
0.432 0.28 0.164 0.11 1.68
  Na61
Na
0.465 0.317 0.158 0.09 1.68
  Si1
Si
-0.05381 0.12565 0.03508 1 1.41
  Si2
Si
-0.05524 0.03639 0.12418 0.08 1.46
  Al2
Al
-0.05524 0.03639 0.12418 0.92 1.46
  O1
O
-0.1099 0.0003 0.1056 1 2.47
  O2
O
-0.0011 -0.0028 0.1416 1 2.45
  O3
O
-0.0346 0.0758 0.0711 1 2.61
  O4
O
-0.0693 0.0726 0.18 1 2.37