Database of Zeolite Structures
 
Framework Type FAU
Powder Diffraction Pattern for Na-X, Hydrated
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 = 25.028 Å b = 25.028Å c = 25.028 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al88Si104O384]-FAU
  Refinement: X-ray single crystal refinement, R=0.09
  Comment: second origin choice in IT
  Reference: Olson, D.H.
J. Phys. Chem., 74, 2758-2764 (1970)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0 0 0 0.54 2.53
  NA2
Na
0.06 0.06 0.06 0.24 0.5
  NA3
Na
0.23 0.23 0.23 0.39 0.5
  NA4
Na
0.238 0.238 0.238 0.36 0.5
  SI1
Si
-0.05291 0.12457 0.03509 1 1.16
  SI2
Si
-0.05352 0.03671 0.12309 0.08 1.04
  AL2
Al
-0.05352 0.03671 0.12309 0.92 1.04
  O1
O
-0.1099 0.0002 0.1054 1 2.2
  O2
O
-0.0025 -0.0041 0.1445 1 1.76
  O3
O
-0.0321 0.073 0.068 1 2.18
  O4
O
-0.0706 0.0772 0.1761 1 2.11
  H2O1
O2-(H2O)
0.074 0.074 0.074 0.36 0.61
  H2O2
O2-(H2O)
0.093 0.086 0.176 0.27 1.66
  H2O3
O2-(H2O)
0.245 0.245 0.245 0.24 0.87
  H2O4
O2-(H2O)
0.281 0.298 0.275 0.13 0.95
  H2O5
O2-(H2O)
0.353 0.345 0.186 0.31 3.58
  H2O6
O2-(H2O)
0.239 0.24 0.392 0.29 3.58
  H2O7
O2-(H2O)
0.174 0.204 0.422 0.18 1.55
  H2O8
O2-(H2O)
0.212 0.387 0.288 0.17 2.82
  H2O9
O2-(H2O)
0.312 0.381 0.2 0.1 1.92
  H2O10
O2-(H2O)
0.258 0.412 0.204 0.14 2.42