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SFE: XPD Pattern
 
Database of Zeolite Structures
 
Framework Type SFE
Powder Diffraction Pattern for SSZ-48, 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 21   (# 
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)		   
  Cell parameters: a = 11.1527 Å b = 5.002Å c = 13.667 Å
    α = 90° β = 100.633° γ = 90 °
  Chemical Formula [Si14O28]-SFE
  Refinement: Electron diffraction, and X-ray powder, Rw = 0.0971, Rp = 0.0887
  Reference: Wagner, P., Terasaki, O., Ritsch, S., Nery, J.G., Zones, S.I., Davis, M.E. and Hiraga, K.
J. Phys. Chem. B, 103, 8245-8250 (1999)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.2558 0.3385 0.1869 1 1.5
  Si2
Si
0.3963 0.3355 0.3874 1 5.05
  Si3
Si
0.4323 0.3363 0.6058 1 7.5
  Si4
Si
0.6337 0.338 0.8955 1 0.32
  Si5
Si
0.3516 0.4094 0.7996 1 0.32
  Si6
Si
0.7451 0.4067 0.1181 1 0.24
  Si7
Si
0.9952 0.3947 0.0657 1 1.11
  O1
O
0.282 0.3816 0.3036 1 3.55
  O2
O
0.3294 0.5403 0.1315 1 0.16
  O3
O
0.1138 0.3692 0.1504 1 0.08
  O4
O
0.2936 0.0386 0.162 1 1.89
  O5
O
0.3565 0.3572 0.4942 1 0.95
  O6
O
0.4574 1.0463 0.3752 1 9.95
  O7
O
0.502 0.5462 0.3807 1 3.47
  O8
O
0.343 0.3596 0.6825 1 5.76
  O9
O
0.4891 0.3747 0.8557 1 0.16
  O10
O
0.6629 0.3845 0.0099 1 0.16
  O11
O
0.2652 0.2098 0.8435 1 5.76
  O12
O
0.3071 0.7112 0.8097 1 4.26
  O13
O
0.8812 0.341 0.1139 1 0.16
  O14
O
0.0061 0.1947 0.9774 1 6.47


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