Database of Zeolite Structures
 
Framework Type MEL
Powder Diffraction Pattern for ZSM-11, Calcined
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: I -4 m 2   (# 119)   
  Cell parameters: a = 20.067 Å b = 20.067Å c = 13.411 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [AlxSi96-xO192]-MEL
  Refinement: X-ray Rietveld refinement, Rp=0.13
  Reference: Fyfe, C.A., Gies, H., Kokotailo, G.T., Pasztor, C., Strobl, H. and Cox, D.E.
J. Am. Chem. Soc., 111, 2470-2474 (1989)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  SI1
Si
0.0777 0.0777 0 1 0.34
  SI2
Si
0.1212 0.186 0.1451 1 1.64
  SI3
Si
0.0775 0.2219 0.3569 1 1.29
  SI4
Si
0.2801 0.1882 0.1403 1 0.39
  SI5
Si
0.3053 0.0768 -0.0079 1 0.28
  SI6
Si
0.1938 0.1938 0.5 1 1.1
  SI7
Si
0.0761 0.3819 0.3589 1 0.01
  O1
O
0.0873 0 0.0279 1 3.3
  O2
O
0.1067 0.1179 0.0975 1 2.83
  O3
O
0.0926 0.1856 0.255 1 1.71
  O4
O
0.2018 0.1993 0.1506 1 1.79
  O5
O
0.3309 0.1186 0.0889 1 1.62
  O6
O
0.3003 0 0.0247 1 0.77
  O7
O
0.3095 0.1905 0.25 1 3.27
  O8
O
0.1204 0.1931 0.4478 1 0.24
  O9
O
0.2511 0.1927 0.4252 1 1.43
  O10
O
0.0905 0.301 0.3497 1 1.16
  O11
O
0 0.209 0.3875 1 3.49
  O12
O
0 0.396 0.3871 1 0.01
  O13
O
0.0926 0.2437 0.09 1 1.59
  O14
O
0.1295 0.4078 0.4348 1 0.03
  O15
O
0.0875 0.4125 0.25 1 0.01