Database of Zeolite Structures
 
Framework Type MTN
Powder Diffraction Pattern for Dodecasil 3C
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: F d -3   (# 203)   
  Cell parameters: a = 19.402 Å b = 19.402Å c = 19.402 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si136O272]-MTN
  Refinement: X-ray single crystal refinement, Rw=0.06
  Comment: second origin choice in IT
  Reference: Gies, H.
Z. Kristallogr., 167, 73-82 (1984)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  SI1
Si
0.0676 0.0676 0.37 1 2.04
  SI2
Si
0.2164 0.2164 0.2164 1 1.53
  SI3
Si
0.125 0.125 0.125 1 1.42
  O1
O
0.0932 0.4065 -0.0001 1 4.97
  O2
O
0.0433 0.2995 0.4505 1 6.24
  O3
O
0.125 0.3734 0.125 1 4.29
  O4
O
0.1704 0.1704 0.1704 1 9.32
  N1
N
0 0 0 1 20
  N2
N
0.625 0.625 0.625 1 20