Database of Zeolite Structures
 
Framework Type STF
Powder Diffraction Pattern for SSZ-35, 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: P -1   (# 2)   
  Cell parameters: a = 11.4114 Å b = 11.5268Å c = 7.377 Å
    α = 94.661° β = 96.206° γ = 104.892 °
  Chemical Formula [Si32O64]1/2-STF
  Refinement: X-ray Rietveld refinement, Rp = 0.0995, Rwp = 0.1188
  Reference: Wagner, P., Zones, S.I., Davis, M.E. and Medrud, R.C.
Angew. Chem. Int. Ed., 38, 1269-1272 (1999)3.0.co;2-3>
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.36019 0.3563 0.61106 1 1.04
  Si2
Si
0.41221 0.42852 0.21918 1 1.49
  Si3
Si
0.14209 0.64205 0.40966 1 1.72
  Si4
Si
0.36181 0.85678 0.57148 1 2.06
  Si5
Si
0.13396 0.44151 0.67151 1 1.52
  Si6
Si
0.23859 0.56731 0.04636 1 1.77
  Si7
Si
0.46001 0.75796 0.92351 1 2.31
  Si8
Si
0.55968 0.87468 0.30376 1 1.76
  O1
O
0.36502 0.37709 0.40067 1 1.87
  O2
O
0.23168 0.36461 0.67114 1 0.89
  O3
O
0.47018 0.4577 0.73017 1 3.15
  O4
O
0.37472 0.2251 0.64375 1 2.07
  O5
O
0.30673 0.47043 0.10734 1 2.6
  O6
O
0.4489 0.32523 0.09908 1 2.49
  O7
O
0.22725 0.77005 0.5079 1 1.84
  O8
O
0.16588 0.54074 0.5323 1 2.01
  O9
O
0.17639 0.61558 0.20899 1 2.46
  O10
O
0.00178 0.64477 0.39598 1 1.13
  O11
O
0.43707 0.85788 0.39827 1 3.01
  O12
O
0.35217 0.99191 0.62479 1 1.61
  O13
O
0.43055 0.81119 0.73707 1 2.31
  O14
O
0.13629 0.50548 0.87315 1 1.2
  O15
O
0.33382 0.67945 0.9804 1 2.47
  O16
O
0.52218 0.86584 0.08546 1 1.83


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