Database of Zeolite Structures
 
Framework Type SOD
Powder Diffraction Pattern for Bicchulite
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

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Crystal Data
  Space Group: I -4 3 m   (# 217)   
  Cell parameters: a = 8.825 Å b = 8.825Å c = 8.825 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al8Si4O24]-SOD
  Refinement: X-ray single crystal refinement, Rw=0.012
  Reference: Sahl, K. and Chatterjee, N.D.
Z. Kristallogr., 146, 35-41 (1977)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  CA
Ca
0.1434 0.1434 0.1434 1 0.75
  SI
Si
0.25 0.5 0 0.3333 0.49
  AL
Al
0.25 0.5 0 0.6667 0.49
  O
O
0.1407 0.1407 0.422 1 0.94
  OH
O1-(OH)
0.3845 0.3845 0.3845 1 0.93
  H
H
0.328 0.328 0.328 1 1


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