Database of Zeolite Structures
 
Framework Type IFY
Powder Diffraction Pattern for ITQ-50 (calcined)
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: P 4/m b m   (# 127)   
  Cell parameters: a = 15.3448 Å b = 15.3448Å c = 11.8118 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si48O96]-IFY
  Refinement: X-ray Rietveld refinement, Rwp=0.119,RB=0.071,Rexp=0.052
  Reference: Jorda, J.L., Rey, F., Sastre, G., Valencia, S., Palomino, M., Corma, A., Segura, A., Errandonea, D., Lacomba, R., Manjon, F.J., Gomis, O., Kleppe, A.K., Jephcoat, A.P., Amboage, M. and Rodriguez-Velamazan, J.A.
Angew. Chem. Int. Ed., 52, 10458-10462 (2013)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.09347 0.73141 0.1864 1 3.9
  Si2
Si
0.0284 0.32358 0 1 3.9
  Si3
Si
0.1684 0.1855 0 1 3.9
  Si4
Si
0.02832 0.86009 0.3699 1 3.9
  O1
O
0.1304 0.8108 0.1114 1 2.9
  O2
O
0.0459 0.7743 0.2952 1 2.9
  O3
O
0.1759 0.6759 0.23 1 2.9
  O4
O
0.0293 0.669 0.1137 1 2.9
  O5
O
0.0718 0.2273 0 1 2.9
  O6
O
0.1072 0.3928 0 1 2.9
  O7
O
0.2318 0.2682 0 1 2.9
  O8
O
0.0999 0.9337 0.3471 1 2.9
  O9
O
0.0348 0.8313 0.5 1 2.9


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