Database of Zeolite Structures
 
Framework Type UTL
Powder Diffraction Pattern for IM-12
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 = 29.8004 Å b = 13.9926Å c = 12.3926 Å
    α = 90° β = 105.185° γ = 90 °
  Chemical Formula [Ge13.8Si62.2O152]-UTL
  Refinement: X-ray Rietveld refinement (GSAS), Rwp=0.065, Rexp=0.022, RF=0.088
  Reference: Paillaud, J.-L., Harbuzaru, B., Patarin, J. and Bats, N.
Science, 304, 990-992 (2004)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Ge1
Ge
0.4474 0.6144 0.8253 0.77 3
  Ge2
Ge
0.4408 0.6125 1.0867 0.753 2.2
  Si1
Si
0.2676 1 0.7912 1 3.9
  Si2
Si
0.2291 0.5 0.8244 1 3.9
  Si3
Si
0.3052 0.5 0.6799 1 3.9
  Si4
Si
0.2284 0.5 0.4591 1 3.9
  Si5
Si
0.2951 0.7974 1.2393 1 3.9
  Si6
Si
0.2972 0.7965 0.4923 1 3.9
  Si7
Si
0.3044 0.7988 0.8584 1 3.9
  Si8
Si
0.3468 0.6978 1.0903 1 3.9
  Si9
Si
0.3561 0.6997 0.6986 1 3.9
  Si10
Si
0.2955 0.5 1.0606 1 3.9
  O1
O
0.3011 0.9045 1.2108 1 6
  O2
O
0.3369 0.5951 0.709 1 6
  O3
O
0.2385 0.5 0.3398 1 6
  O4
O
0.2482 0.5 0.96 1 6
  O5
O
0.4285 0.6159 0.9437 1 6
  O6
O
0.3307 0.7319 1.1994 1 6
  O7
O
0.329 0.7749 0.9903 1 6
  O8
O
0.4373 0.5 1.139 1 6
  O9
O
0.5036 0.649 0.834 0.5 6
  O9'
O
0.5032 0.667 0.865 0.5 6
  O10
O
0.4466 0.5 0.771 1 6
  O11
O
0.4027 0.6876 1.1289 1 6
  O12
O
0.2821 0.5 1.1811 1 6
  O13
O
0.4127 0.6952 0.7273 1 6
  O14
O
0.297 0.9096 0.8436 1 6
  O15
O
0.25 0.75 0.5 1 6
  O16
O
0.3254 0.5943 1.0516 1 6
  O17
O
0.3368 0.7686 0.7804 1 6
  O18
O
0.2694 0.5 0.7591 1 6
  O19
O
0.3001 0.906 0.5276 1 6
  O20
O
0.2786 0.5 0.5463 1 6
  O21
O
0.3055 0.784 0.3718 1 6
  O22
O
0.3361 0.7339 0.5701 1 6
  O23
O
0.2558 0.7398 0.8219 1 6


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