Database of Zeolite Structures
 
Framework Type SZR
Powder Diffraction Pattern for SUZ-4
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 m m m   (# 65)   
  Cell parameters: a = 18.8064 Å b = 14.2298Å c = 7.4548 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |K4 | [Al4Si32O72]-SZR
  Refinement:
  Reference: Strohmaier, K.G., Afeworki, M. and Dorset, D.L.
Z. Kristallogr., 221, 689-698 (2006)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.0818 0.1976 0.2926 1 1.026
  Si2
Si
0.1463 0 0.2905 1 1.026
  Si3
Si
0.2677 0 0 1 1.026
  Si4
Si
0.1726 0.2974 0 1 1.026
  O1
O
0 0.2209 0.2449 1 1.816
  O2
O
0.0995 0.0916 0.2387 1 1.816
  O3
O
0.2195 0 0.1796 1 1.816
  O4
O
0.25 0.25 0 1 1.816
  O5
O
0.3196 0.0906 0 1 1.816
  O6
O
0.1309 0.2683 0.1811 1 1.816
  O7
O
0.1677 0 0.5 1 1.816
  O8
O
0.0992 0.2173 0.5 1 1.816
  K1
K
0 0 0 1 4.5
  K2
K
0.25 0.25 0.5 0.191 37.18
  K3
K
0.2151 0.4015 0.5 0.137 1.973


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