Database of Zeolite Structures
 
Framework Type IWS
Powder Diffraction Pattern for ITQ-26
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: I 4/m m m   (# 139)   
  Cell parameters: a = 26.7769 Å b = 26.7769Å c = 13.2505 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Ge27.2Si108.8O272]-IWS
  Refinement:
  Reference: Dorset, D.L., Strohmaier, K.G., Kliewer, C.E., Corma, A., Díaz-Cabañas, M.J., Rey, F. and Gilmore, C.J.
Chem. Mater., 20, 5325-5331 (2008)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Ge1
Ge
0.0586 0.3209 0.1176 0.32 2
  Si2
Si
0.0586 0.3209 0.1176 0.68 2
  Ge3
Ge
0.0584 0.2043 0.1179 0.32 2
  Si4
Si
0.0584 0.2043 0.1179 0.68 2
  Ge5
Ge
0.0582 0.0582 0.3825 0.32 2
  Si6
Si
0.0582 0.0582 0.3825 0.68 2
  Si7
Si
0.105 0.105 0.1891 1 2
  Si8
Si
0.0884 0.4116 0.25 1 2
  Si9
Si
0.0574 0.0574 0 1 2
  Si10
Si
0 0.4427 0.3837 1 2
  O11
O
0.0629 0.341 0 1 2
  O12
O
0 0.3194 0.155 1 2
  O13
O
0.0791 0.2625 0.1238 1 2
  O14
O
0.0876 0.3568 0.1983 1 2
  O15
O
0.0948 0.1645 0.1785 1 2
  O16
O
0.0571 0.1849 0 1 2
  O17
O
0 0.202 0.1599 1 2
  O18
O
0.0726 0.0726 0.5 1 2
  O19
O
0 0.0718 0.3565 1 2
  O20
O
0.0924 0.0924 0.3049 1 2
  O21
O
0.0755 0.0755 0.1059 1 2
  O22
O
0.0845 0.4517 0.1624 1 2
  O23
O
0 0.0711 0 1 2
  O24
O
0 0.5 0.3529 1 2
  O25
O
0 0.429 0.5 1 2