Database of Zeolite Structures
 
Framework Type SSY
Powder Diffraction Pattern for SSZ-60
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: P m n 21   (# 31)   
  Cell parameters: a = 21.951 Å b = 13.698Å c = 5.012 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [B0.75Si26.25O54]-SSY
  Refinement: X-ray Rietveld refinement, Rwp = 0.056, Rexp = 0.038
  Reference: Burton, A. and Elomari, S.
Chem. Commun., , 2618-2619 (2004)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0 0.1398 -0.004 1 2.44
  Si2
Si
-0.1295 0.2195 -0.038 1 2.44
  Si3
Si
-0.197 0.4046 -0.931 1 2.44
  Si4
Si
0.6276 0.0805 -0.02 1 2.44
  Si5
Si
0 0.009 -0.505 1 2.44
  Si6
Si
0.72 0.3817 -0.432 1 2.44
  Si7
Si
0.6756 0.1768 -0.522 1 2.44
  Si8
Si
-0.1845 0.1251 -0.536 1 2.44
  O1
O
-0.2255 0.387 -0.64 1 0.87
  O2
O
0.6315 0.12 -0.324 1 0.87
  O3
O
0.6763 0.2915 -0.457 1 0.87
  O4
O
0.6778 0.4811 -0.459 1 0.87
  O5
O
0.7437 0.138 -0.497 1 0.87
  O6
O
0 0.098 -0.304 1 0.87
  O7
O
-0.1425 0.3351 -0.991 1 0.87
  O8
O
-0.0587 0.208 -0.978 1 0.87
  O9
O
0 0.052 -0.803 1 0.87
  O10
O
-0.1683 0.156 -0.839 1 0.87
  O11
O
-0.1678 0.014 -0.49 1 0.87
  O12
O
0.5584 0.058 -0.96 1 0.87
  O13
O
-0.1468 0.194 -0.34 1 0.87
  O14
O
0.7488 0.385 -0.14 1 0.87
  O15
O
0.6519 0.1633 -0.823 1 0.87