SSF
Framework Type SSF
Powder Diffraction Pattern for SSZ-65
Set Parameters:
 2θ range:
-
°Step size:
 Background:  Polarization factor:
 Wavelength:
 Peak shape parameters (The pattern is calculated using a pseudo Voigt function with FWHM = sqrt(U + V tan θ + W tan2θ)) :
  Peak range: FWHMMixing parameter: % 
  Peak width: calculate UVW such that
    U =  FWHM =
    V =  FWHM =  
    W =  FWHM =  
 Intensity scale:   
  Reference peak, scaled to , is the  
   peak closest to °2θ reflection (hkl)
 Plot parameters:      
  Output:Size:Intensity axis:
-
 
List hkl and intensity
plot powder pattern
Crystal data:
Composition:[B1.5Si52.5 O108]-SSF
Refined composition: [Si54 O108]-SSF
Space group: P6/m  (# 175)  Setting:
Cell parameters:a = 16.8009Åb = 16.8009Åc = 12.6154 Å
 α = 90.00°β = 90.00°γ = 120.00°
Refinement:X-ray (synchrotron) Rietveld refinement, Rwp=0.103, Rp=0.085
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
0.3017-0.00290.20051.00.07
Si2
Si
0.1826-0.00790.37861.00.07
Si3
Si
0.1791-0.011801.00.07
Si4
Si
0.49910.35390.12641.00.07
Si5
Si
0.47850.16060.12411.00.07
O1
O
0.38480.09670.18521.00.07
O2
O
0.33850.92710.18681.00.07
O3
O
0.2542-0.01570.30831.00.07
O4
O
0.2314-0.01930.10041.00.07
O5
O
0.17820.08400.35641.00.07
O6
O
0.2100-0.01490.51.00.07
O7
O
0.17150.078901.00.07
O8
O
0.49720.365701.00.07
O9
O
0.45920.142101.00.07
O10
O
 0.55890.14560.16941.00.07
O11
O
 0.50530.26450.15161.00.07

Copyright © 2007 Structure Commission of the International Zeolite Association (IZA-SC)