Database of Zeolite Structures
 
Framework Type SOD
Powder Diffraction Pattern for Tugtupite
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   (# 82)   
  Cell parameters: a = 8.64 Å b = 8.64Å c = 8.873 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al2Be2Si8O24]-SOD
  Refinement: X-ray single crystal refinement, Rw=0.030
  Reference: Hassan, I. and Grundy, H.D.
Can. Mineral., 29, 385-390 (1991)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA1
Na
0.1563 0.1972 0.1818 1 1.48
  CL1
Cl
0 0 0 1 1.85
  SI1
Si
0.0127 0.2533 0.4958 1 0.58
  AL1
Al
0 0.5 0.75 1 0.6
  BE1
Be
0 0.5 0.25 1 0.77
  O1
O
0.1504 0.1343 0.4417 1 0.97
  O2
O
0.3472 0.0385 0.6488 1 0.94
  O3
O
0.4256 0.1486 0.1377 1 0.95


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