Database of Zeolite Structures
 
Framework Type UOS
Powder Diffraction Pattern for IM-16
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 m c m   (# 63)   
  Cell parameters: a = 15.0861 Å b = 17.7719Å c = 19.9764 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si13.88Ge10.13O48]4-UOS
  Refinement:
  Reference: Lorgouilloux, Y., Dodin, M., Paillaud, J.-L., Caullet, P., Michelin, L., Josien, L., Ersen, O., Bats, N.
J. Solid State Chem., 182, 622-629 (2009)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Ge1
Ge
0.3979 0.38872 0.44864 0.625 0.0415
  Si1
Si
0.3979 0.38872 0.44864 0.375 0.0415
  Ge2
Ge
0.3964 0.33933 0.60215 0.526 0.0415
  Si2
Si
0.3964 0.33933 0.60215 0.474 0.0415
  Ge3
Ge
0.1034 0.28321 0.59519 0.555 0.0415
  Si3
Si
0.1034 0.28321 0.59519 0.445 0.0415
  Si4
Si
0.3975 0.16704 0.5595 0.478 0.0415
  Ge4
Ge
0.3975 0.16704 0.5595 0.522 0.0415
  Si5
Si
0.2258 0.3901 0.67049 0.893 0.0415
  Ge5
Ge
0.2258 0.3901 0.67049 0.107 0.0415
  Si6
Si
0.276 0.0289 0.57462 0.808 0.0415
  Ge6
Ge
0.276 0.0289 0.57462 0.192 0.0415
  O1
O
0.3583 0.3685 0.5266 1 0.0498
  O2
O
0.5 0.4205 0.453 1 0.0498
  O3
O
0.396 0.2466 0.6039 1 0.0498
  O4
O
0.3319 0.3749 0.6602 1 0.0498
  O5
O
0.5 0.3727 0.6132 1 0.0498
  O6
O
0.1735 0.3141 0.6494 1 0.0498
  O7
O
0.372 0.1816 0.4792 1 0.0498
  O8
O
0.3956 0.3113 0.4035 1 0.0498
  O9
O
0.2065 0.4087 0.75 1 0.0498
  O10
O
0 0.3147 0.6149 1 0.0498
  O11
O
0.327 0.1075 0.5911 1 0.0498
  O12
O
0.5 0.1295 0.5624 1 0.0498
  O13
O
0.3333 0.4566 0.4163 1 0.0498
  O14
O
0.1908 0.4626 0.626 1 0.0498
  O15
O
0.2988 0 0.5 1 0.0498
  Ow1
O
0 -0.0082 0.1602 0.109 0.125
  Ow2
O
0.2488 0.2285 0.5504 0.157 0.125


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)