Database of Zeolite Structures
 
Framework Type MTW
Powder Diffraction Pattern for ZSM-12, 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: C 1 2/c 1   (# 15)   
  Cell parameters: a = 24.8633 Å b = 5.01238Å c = 24.3275 Å
    α = 90° β = 107.7215° γ = 90 °
  Chemical Formula |Nax (H2O)4|2 [AlxSi28-xO56]2-MTW
  Refinement: X-ray Rietveld refinement, Rexp=0.058, Rwp=0.181, RI=0.069
  Comment: unique axis b, cell choice 1
  Reference: Fyfe, C.A., Gies, H., Kokotailo, G.T., Marler, B. and Cox, D.E.
J. Phys. Chem., 94, 3718-3721 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  SI1
Si
0.4402 0.5319 0.4129 1 0
  SI2
Si
0.0678 -0.0708 0.4589 1 0
  SI3
Si
0.3754 0.032 0.3609 1 0
  SI4
Si
0.1338 0.4218 0.4484 1 0
  SI5
Si
0.2836 0.0822 0.4275 1 0
  SI6
Si
0.2139 0.5853 0.3832 1 0
  SI7
Si
0.2869 0.01 0.2463 1 0
  O1
O
0.428 0.5053 0.473 1 0
  O2
O
0.5034 0.4725 0.4225 1 0
  O3
O
0.4245 0.822 0.3872 1 0
  O4
O
0.3301 -0.0045 0.3956 1 0
  O5
O
0.0841 -0.3624 0.4513 1 0
  O6
O
0.3452 -0.0218 0.2972 1 0
  O7
O
0.2504 0.2441 0.2629 1 0
  O8
O
0.2602 0.3716 0.4078 1 0
  O9
O
0.1554 0.5101 0.3911 1 0
  O10
O
0.1853 0.448 0.5026 1 0
  O11
O
0.2997 0.0905 0.1886 1 0
  O12
O
0.3995 0.337 0.3702 1 0
  O13
O
0.1069 0.1372 0.4394 1 0
  O14
O
0.2343 0.8828 0.4093 1 0