Database of Zeolite Structures
 
Framework Type CDO
Powder Diffraction Pattern for UZM-25 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 m c m   (# 63)   
  Cell parameters: a = 7.385 Å b = 18.4453Å c = 13.795 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si36O72]-CDO
  Refinement: X-ray single crystal refinement (Shelxtl), R1=0.098, wR2 = 0.206
  Reference: Knight, L.M., Miller, M.A., Koster, S.C., Gatter, M.G., Benin, A.I., Willis, R.R., Lewis, G.J. and Broach, R.W.
Stud. Surf. Sci. Catal., 170A, 338-346 (2007)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.2054 0.1776 0.4503 1 3.77
  Si2
Si
0 0.4204 0.4613 1 3.69
  Si3
Si
0.2921 0.2382 0.25 1 5.19
  Si4
Si
0 0.3631 0.25 1 5.29
  O1
O
0 0.1571 0.467 1 5.68
  O2
O
0.2456 0.1865 0.3393 1 7.5
  O3
O
0.3249 0.117 0.4971 1 6.71
  O4
O
0 0.5 0.5 1 7.5
  O5
O
0.1731 0.3123 0.25 1 6.95
  O6
O
0.5 0.2599 0.25 1 5.61
  O7
O
0 0.4151 0.3447 1 5.68
  O8
O
0.25 0.25 0.5 1 9.63