Database of Zeolite Structures
 
Framework Type ITE
Powder Diffraction Pattern for ITQ-3, 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: C m c m   (# 63)   
  Cell parameters: a = 20.622 Å b = 9.7242Å c = 19.623 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si64O128]-ITE
  Refinement: X-ray Rietveld refinement, Rwp = 0.086, Rp = 0.062
  Reference: Camblor, M.A., Corma, A., Lightfoot, P., Villaescusa, L.A. and Wright, P.A.
Angew. Chem. Int. Ed., 36, 2659-2661 (1997)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.32018 -0.043 0.1701 1 1.1
  Si2
Si
0.07561 0.4067 0.0561 1 1.1
  Si3
Si
0.2641 0.2255 0.1121 1 1.1
  Si4
Si
0.15302 0.1551 0.0036 1 1.1
  O1
O
0.3427 -0.0581 0.25 1 0.4
  O2
O
0.2675 -0.1485 0.1491 1 0.4
  O3
O
0.0996 0.5 0 1 0.4
  O4
O
0.0978 0.2516 0.0287 1 0.4
  O5
O
0 0.4105 0.0718 1 0.4
  O6
O
0.2148 0.1587 0.0569 1 0.4
  O7
O
0.387 -0.0628 0.1288 1 0.4
  O8
O
0.2913 0.1093 0.1625 1 0.4
  O9
O
0.3275 0.2871 0.0695 1 0.4
  O10
O
0.1308 0 0 1 0.4


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