Database of Zeolite Structures
 
Framework Type OSI
Powder Diffraction Pattern for UiO-6, 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: I m m 2   (# 44)   
  Cell parameters: a = 18.3549 Å b = 18.3206Å c = 5.053 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al16P16O64]-OSI
  Refinement: X-ray Rietveld refinement, Rp = 0.044, Rwp = 0.059
  Reference: Akporiaye, D.E., Fjellvåg, H., Halvorsen, E.N., Haug, T., Karlsson, A. and Lillerud, K.P.
Chem. Commun., , 1553-1554 (1996)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Al1
Al
0.5 0.2867 0 1 0
  Al2
Al
0.6179 0.5 0.604 1 0
  Al3
Al
0.7205 0.1659 0.528 1 0
  P1
P
0.5 0.3795 0.527 1 0
  P2
P
0.7221 0.5 0.081 1 0
  P3
P
0.3554 0.7691 0.068 1 0
  O1
O
0.5 0.3073 -0.3398 1 0
  O2
O
0.5 0.3556 0.2413 1 0
  O3
O
0.4353 0.2154 0.0247 1 0
  O4
O
0.6491 0.5 0.9332 1 0
  O5
O
0.6738 0.5 0.3272 1 0
  O6
O
0.5724 0.4185 0.53 1 0
  O7
O
0.6709 0.195 0.8099 1 0
  O8
O
0.6977 0.1764 0.1912 1 0
  O9
O
0.8081 0.203 0.511 1 0
  O10
O
0.7376 0.0718 0.5281 1 0


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