Database of Zeolite Structures
 
Framework Type MTF
Powder Diffraction Pattern for MCM-35
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 1 2/m 1   (# 12)   
  Cell parameters: a = 9.5 Å b = 30.7096Å c = 7.3133 Å
    α = 90° β = 91.7113° γ = 90 °
  Chemical Formula [Si44O88]-MTF
  Refinement: X-ray synchrotron Rietveld refinement, Rp = 0.0729, Rwp = 0.0916, Rb = 0.0302
  Comment: unique axis b, cell choice 1
  Reference: Barrett, P.A., Diaz-Cabanas, M.-J. and Camblor, M.A.
Chem. Mater., 11, 2919-2927 (1999)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0 0.08356 0 1 0.41
  Si2
Si
0.191 0.15359 -0.1667 1 1.25
  Si3
Si
-0.0048 0.22858 -0.2913 1 0.29
  Si4
Si
-0.1271 0.04862 -0.371 1 0.73
  Si5
Si
-0.3049 0.19803 -0.1822 1 0.47
  Si6
Si
-0.3391 0.12303 -0.4749 1 0.24
  O1
O
-0.0756 0.05227 -0.1609 1 1.62
  O2
O
-0.5 0.10684 -0.5 1 1.62
  O3
O
0 0.23506 -0.5 1 1.62
  O4
O
0 0.06345 -0.5 1 1.62
  O5
O
0.2923 0.17606 -0.0075 1 1.62
  O6
O
-0.2593 0.08102 -0.4062 1 1.62
  O7
O
0.0624 0.269 -0.1981 1 1.62
  O8
O
0.1281 0.11111 -0.0804 1 1.62
  O9
O
-0.2807 0.13899 -0.6705 1 1.62
  O10
O
0.0798 0.18695 -0.2331 1 1.62
  O11
O
-0.1766 0 -0.4029 1 1.62
  O12
O
-0.1646 0.22635 -0.223 1 1.62
  O13
O
-0.3268 0.16144 -0.3269 1 1.62


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