Database of Zeolite Structures
 
Framework Type SSF
Powder Diffraction Pattern for SSZ-65
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 6/m   (# 175)   
  Cell parameters: a = 16.8009 Å b = 16.8009Å c = 12.6154 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [B1.5Si52.5O108]-SSF
  Refinement:
  Reference: Elomari, S., Burton, A.W., Ong, K., Pradhan, A.R. and Chan, I.Y.
Chem. Mater., 19, 5485-5492 (2007)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.3017 -0.0029 0.2005 1 0.07
  Si2
Si
0.1826 -0.0079 0.3786 1 0.07
  Si3
Si
0.1791 -0.0118 0 1 0.07
  Si4
Si
0.4991 0.3539 0.1264 1 0.07
  Si5
Si
0.4785 0.1606 0.1241 1 0.07
  O1
O
0.3848 0.0967 0.1852 1 0.07
  O2
O
0.3385 0.9271 0.1868 1 0.07
  O3
O
0.2542 -0.0157 0.3083 1 0.07
  O4
O
0.2314 -0.0193 0.1004 1 0.07
  O5
O
0.1782 0.084 0.3564 1 0.07
  O6
O
0.21 -0.0149 0.5 1 0.07
  O7
O
0.1715 0.0789 0 1 0.07
  O8
O
0.4972 0.3657 0 1 0.07
  O9
O
0.4592 0.1421 0 1 0.07
  O10
O
0.5589 0.1456 0.1694 1 0.07
  O11
O
0.5053 0.2645 0.1516 1 0.07


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