Database of Zeolite Structures
 
Framework Type SFN
Powder Diffraction Pattern for SSZ-59
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 = 5.023 Å b = 12.735Å c = 14.722 Å
    α = 103.44° β = 90.51° γ = 100.88 °
  Chemical Formula [B0.7Si31.3O64]1/2-SFN
  Refinement: X-ray powder refinement, Rwp = 0.055
  Reference: Burton, A., Elomari, S., Chen, C.Y., Medrud, R.C., Chan, I.Y., Bull, L.M., Kibby, C., Harris, T.V., Zones, S.I. and Vittoratos, E.S.
Chem. Eur. Journal, 9, 5737-5748 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.104 0.0959 0.6362 1 1.7
  Si2
Si
0.68 0.4459 0.3118 1 1.7
  Si3
Si
0.662 0.2151 0.7202 1 1.7
  Si4
Si
0.69 0.2714 0.4214 1 1.7
  Si5
Si
0.75 0.4131 0.6226 1 1.7
  Si6
Si
0.665 0.3797 0.9041 1 1.7
  Si7
Si
0.75 0.4731 0.1124 1 1.7
  Si8
Si
0.131 0.1485 0.4432 1 1.7
  O1
O
0.994 0.9703 0.624 1 1.26
  O2
O
0.41 0.119 0.681 1 1.26
  O3
O
0.068 0.832 0.297 1 1.26
  O4
O
0.117 0.134 0.5437 1 1.26
  O5
O
0.984 0.238 0.421 1 1.26
  O6
O
0.553 0.826 0.584 1 1.26
  O7
O
0.673 0.331 0.3368 1 1.26
  O8
O
0.414 0.491 0.344 1 1.26
  O9
O
0.067 0.464 0.644 1 1.26
  O10
O
0.681 0.421 0.1999 1 1.26
  O11
O
0.639 0.259 0.8313 1 1.26
  O12
O
0.664 0.314 0.672 1 1.26
  O13
O
0.684 0.366 0.5135 1 1.26
  O14
O
0.694 0.378 0.0146 1 1.26
  O15
O
0.92 0.467 0.88 1 1.26
  O16
O
0.596 0.57 0.113 1 1.26


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