Database of Zeolite Structures
 
Framework Type IWW
Powder Diffraction Pattern for ITQ-22
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 b a m   (# 55)   
  Cell parameters: a = 42.1326 Å b = 12.9885Å c = 12.6814 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si89.8Ge22.2O224]-IWW
  Refinement: X-ray powder refinement, Rwp = 0.11
  Reference: Corma, A., Rey, F., Valencia, S., Jorda, J.L. and Rius, J.
Nature Mater., 2, 493-497 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  T1
Si
0.385 0.9154 0.1275 1 2.54
  T2
Si
0.4226 0.6981 0.1277 1 2.54
  T3
Si
0.3564 0.5802 0.125 1 2.54
  T4
Si
0.3189 0.7891 0.1225 1 2.54
  T5
Si
0.3839 0.8951 0.5 1 1.22
  T6
Si
0.4198 0.6952 0.5 1 1.22
  T7
Si
0.3571 0.5625 0.5 1 1.22
  T8
Si
0.319 0.7708 0.5 1 1.22
  T9
Si
0.3506 0.4197 0.298 1 1.22
  T10
Si
0.3788 0.0563 0.3157 1 1.22
  T11
Si
0.2796 0.859 0.3139 1 1.22
  T12
Si
0.4631 0.6216 0.3125 1 1.22
  T13
Si
0.2892 0.3018 0.3767 1 1.22
  T14
Si
0.3074 0.0734 0.3764 1 1.22
  T15
Si
0.4044 0.2755 0.3769 1 1.22
  T16
Si
0.4667 0.3964 0.3765 1 1.22
  O1
O
0.413 0.8239 0.1461 1 3.19
  O2
O
0.3835 0.953 0 1 3.19
  O3
O
0.3501 0.8612 0.1655 1 3.19
  O4
O
0.3903 0.0226 0.2014 1 3.19
  O5
O
0.429 0.6754 0 1 3.19
  O6
O
0.3898 0.6363 0.1718 1 3.19
  O7
O
0.4555 0.6668 0.1978 1 3.19
  O8
O
0.3626 0.5441 0 1 3.19
  O9
O
0.3256 0.6622 0.1451 1 3.19
  O10
O
0.3448 0.4721 0.186 1 3.19
  O11
O
0.3073 0.8194 0 1 3.19
  O12
O
0.2871 0.8218 0.1966 1 3.19
  O13
O
0.4133 0.8167 0.5 1 3.19
  O14
O
0.3496 0.8419 0.5 1 3.19
  O15
O
0.388 0.9651 0.3968 1 3.19
  O16
O
0.3922 0.611 0.5 1 3.19
  O17
O
0.4442 0.6762 0.4054 1 3.19
  O18
O
0.3318 0.6549 0.5 1 3.19
  O19
O
0.3511 0.4968 0.3953 1 3.19
  O20
O
0.2987 0.7909 0.3964 1 3.19
  O21
O
0.3194 0.3504 0.3173 1 3.19
  O22
O
0.3818 0.3487 0.308 1 3.19
  O23
O
0.3413 0.0815 0.3182 1 3.19
  O24
O
0.3996 0.1552 0.3486 1 3.19
  O25
O
0.2416 0.8491 0.3207 1 3.19
  O26
O
0.2894 0.9788 0.3214 1 3.19
  O27
O
0.457 0.4985 0.3122 1 3.19
  O28
O
0.4993 0.6497 0.3419 1 3.19
  O29
O
0.2912 0.3267 0.5 1 3.19
  O30
O
0.2897 0.181 0.3462 1 3.19
  O31
O
0.3131 0.0524 0.5 1 3.19
  O32
O
0.3962 0.2837 0.5 1 3.19
  O33
O
0.4411 0.3061 0.3628 1 3.19
  O34
O
0.4704 0.4195 0.5 1 3.19


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