Database of Zeolite Structures
 
Framework Type IWR
Powder Diffraction Pattern for ITQ-24
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: C m m m   (# 65)   
  Cell parameters: a = 21.2549 Å b = 13.521Å c = 12.6095 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si48.3Ge5.1Al2.6O112]-IWR
  Refinement: X-ray Rietveld refinement, Rwp = 0.072, Rexp = 0.035
  Reference: Castaneda, R., Corma, A., Fornes, V., Rey, F. and Rius, J.
J. Am. Chem. Soc., 125, 7820-7821 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.0757 0.1185 0.3737 0.69 2.3
  Si2
Si
0.1502 0.1933 0.1831 1 2.3
  Si3
Si
0.2822 0.1106 0.1273 0.95 2.3
  Si4
Si
0.0763 0.1139 0 0.91 2.3
  Ge1
Ge
0.0757 0.1185 0.3737 0.31 2.3
  Ge3
Ge
0.2822 0.1106 0.1273 0.05 2.3
  Ge4
Ge
0.0763 0.1139 0 0.09 2.3
  O1
O
0.0949 0.1601 0.1107 1 2.3
  O2
O
0 0.1258 0 1 2.3
  O3
O
0.0992 0 0 1 2.3
  O4
O
0.0938 0.1362 0.5 1 2.3
  O5
O
0.0783 0 0.3298 1 2.3
  O6
O
0.1199 0.1867 0.2961 1 2.3
  O7
O
0 0.1477 0.3673 1 2.3
  O8
O
0.213 0.1271 0.18 1 2.3
  O9
O
0.1698 0.3091 0.1828 1 2.3
  O10
O
0.2992 0 0.163 1 2.3
  O11
O
0.2731 0.1196 0 1 2.3


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)