Database of Zeolite Structures
 
Framework Type MEL
Powder Diffraction Pattern for all silica ZSM-11
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 m 2   (# 119)   
  Cell parameters: a = 20.0599 Å b = 20.0599Å c = 13.4031 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si96O192]-MEL
  Refinement: X-ray synchrotron Rietveld refinement, Rw=0.0748, RF=0.0342, Rexp=0.039
  Reference: Terasaki, O., Ohsuna, T., Sakuma, H., Watanabe, D., Nakagawa, Y. and Medrud, R.C.
Chem. Mater., 8, 463-468 (1996)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.0765 0.0765 0 1 1.36
  Si2
Si
0.1215 0.187 0.1445 1 1.36
  Si3
Si
0.0768 0.2249 0.3567 1 1.36
  Si4
Si
0.2792 0.1888 0.1395 1 1.36
  Si5
Si
0.3066 0.0757 -0.0085 1 1.36
  Si6
Si
0.19 0.19 0.5 1 1.36
  Si7
Si
0.0756 0.38 0.3564 1 1.36
  O1
O
0.0894 0 0.0266 1 2.5
  O2
O
0.1009 0.1188 0.0931 1 2.5
  O3
O
0.0942 0.1904 0.2538 1 2.5
  O4
O
0.2005 0.1924 0.1459 1 2.5
  O5
O
0.3026 0.12 0.0877 1 2.5
  O6
O
0.2974 0 0.0229 1 2.5
  O7
O
0.3104 0.1897 0.25 1 2.5
  O8
O
0.1192 0.1933 0.4458 1 2.5
  O9
O
0.2503 0.1935 0.423 1 2.5
  O10
O
0.0941 0.3027 0.346 1 2.5
  O11
O
0 0.213 0.383 1 2.5
  O12
O
0 0.3908 0.3883 1 2.5
  O13
O
0.0928 0.2489 0.0861 1 2.5
  O14
O
0.1222 0.4137 0.4362 1 2.5
  O15
O
0.0867 0.4133 0.25 1 2.5


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