Database of Zeolite Structures
 
Framework Type UFI
Powder Diffraction Pattern for UZM-5
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
Crystal Data
  Space Group: I 4/m m m   (# 139)   
  Cell parameters: a = 12.151 Å b = 12.151Å c = 28.172 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |K8 | [Al8Si56O128]-UFI
  Refinement: X-ray Rietveld refinement, Rwp = 0.021, Rexp = 0.073
  Reference: Blackwell, C.S., Broach, R.W., Gatter, M.G., Holmgren, J.S., Jan, D.-Y., Lewis, G.J., Mezza, B.J., Mezza, T.M., Miller, M.A., Moscoso, J.G., Patton, R.L., Rohde, L.M., Schoonover, M.W., Sinkler, W., Wilson, B.A. and Wilson, S.T.
Angew. Chem. Int. Ed., 42, 1737-1740 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.1796 0 0.0552 0.875 4.8
  Si2
Si
0.3781 0.2005 0.2006 0.875 4.8
  Si3
Si
0.3748 0 0.1341 0.875 4.8
  Al1
Al
0.1796 0 0.0552 0.125 4.8
  Al2
Al
0.3781 0.2005 0.2006 0.125 4.8
  Al3
Al
0.3748 0 0.1341 0.125 4.8
  O1
O
0.2965 0 0.0876 1 3.8
  O2
O
0.2095 0 0 1 3.8
  O3
O
0.106 0.106 0.0665 1 3.8
  O4
O
0.3525 0.1475 0.25 1 3.8
  O5
O
0.3576 0.1116 0.1606 1 3.8
  O6
O
0.5 0.2561 0.204 1 3.8
  O7
O
0.3153 0.3153 0.1911 1 3.8
  O8
O
0.5 0 0.1122 1 3.8
  K1
K
0.5 0.5 0.1937 0.76 4
  K2
K
0.5 0 0 0.54 4


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