Database of Zeolite Structures
 
Framework Type SFH
Powder Diffraction Pattern for SSZ-53
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: C 1 2/c 1   (# 15)   
  Cell parameters: a = 5.0192 Å b = 33.7437Å c = 21.1653 Å
    α = 90° β = 90.485° γ = 90 °
  Chemical Formula [B1.6Si62.4O128]-SFH
  Refinement: X-ray powder refinement, Rwp = 0.088
  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
0.551 0.6108 0.5041 1 2.13
  Si2
Si
0.056 0.5621 0.5206 1 2.13
  Si3
Si
0.534 0.6985 0.988 1 2.13
  Si4
Si
0.457 0.3787 0.6453 1 2.13
  Si5
Si
0.947 0.4892 0.6025 1 2.13
  Si6
Si
0.457 0.467 0.6784 1 2.13
  Si7
Si
0.955 0.3322 0.679 1 2.13
  Si8
Si
0.037 0.2763 0.5707 1 2.13
  O1
O
0.332 0.2892 0.5454 1 0.47
  O2
O
0.484 0.385 0.571 1 0.47
  O3
O
0.492 0.346 0.4656 1 0.47
  O4
O
0.5 0.5176 0.25 1 0.47
  O5
O
0.996 0.5332 0.5782 1 0.47
  O6
O
0.346 0.5801 0.5308 1 0.47
  O7
O
0.843 0.5966 0.5214 1 0.47
  O8
O
0.162 0.4768 0.6548 1 0.47
  O9
O
0.659 0.4877 0.6326 1 0.47
  O10
O
0 0.6811 0.25 1 0.47
  O11
O
0.99 0.2931 0.6378 1 0.47
  O12
O
0.658 0.347 0.6705 1 0.47
  O13
O
0.161 0.3648 0.6605 1 0.47
  O14
O
0.509 0.729 0.5698 1 0.47
  O15
O
0.957 0.461 0.5434 1 0.47
  O16
O
0.488 0.4203 0.822 1 0.47
  O17
O
0.168 0.2948 0.9834 1 0.47


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