Database of Zeolite Structures
 
Framework Type IWV
Powder Diffraction Pattern for ITQ-27
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: F m m m   (# 69)   
  Cell parameters: a = 27.7508 Å b = 25.2969Å c = 13.7923 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al5Si147O304]-IWV
  Refinement:
  Reference: Dorset, D.L., Kennedy, G.J., Strohmaier, K.G., Díaz-Cabañas, M.J., Rey, F. and Corma, A.
J. Am. Chem. Soc., 128, 8862-8867 (2006)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.1478 0.0995 0.1968 1 1.184355
  Si2
Si
0.3033 0 0.2101 1 1.184355
  Si3
Si
0.0544 0.0656 0.1128 1 1.184355
  Si4
Si
0.28 0.1959 0 1 1.184355
  Si5
Si
0.3068 0.1934 0.2129 1 1.184355
  Si6
Si
0.205 0.1011 0 1 1.184355
  Si7
Si
0.2704 0 0 1 1.184355
  O1
O
0.0908 0.0951 0.1828 1 2.526624
  O2
O
0.1725 0.1027 0.0948 1 2.526624
  O3
O
0.1533 0.1539 0.2514 1 2.526624
  O4
O
0.1693 0.0519 0.2551 1 2.526624
  O5
O
0.25 0 0.25 1 2.526624
  O6
O
0.304 0 0.0946 1 2.526624
  O7
O
0.0574 0 0.1204 1 2.526624
  O8
O
0.0634 0.0831 0 1 2.526624
  O9
O
0 0.084 0.1428 1 2.526624
  O10
O
0.3126 0.193 0.9034 1 2.526624
  O11
O
0.2428 0.1483 0 1 2.526624
  O12
O
0.25 0.25 0 1 2.526624
  O13
O
0.25 0.1846 0.25 1 2.526624
  O14
O
0.3264 0.25 0.25 1 2.526624
  O15
O
0.2362 0.0501 0 1 2.526624