Database of Zeolite Structures
 
Framework Type EUO
Powder Diffraction Pattern for o-FDBDM-ZSM-50
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 m a   (# )   
  Cell parameters: a = 13.726 Å b = 22.171Å c = 20.254 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, R1 (for I>2 sigma(I)) =0.083, R1 (all data) = 0.109
  Reference: Arranz, M., Perez-Pariente, J., Wright, P.A., Slawin, A.M.Z., Blasco, T., Gomez-Hortiguela, L. and Cora, F.
Chem. Mater., 17, 4374-4385 (2005)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.2113 0.43268 0.31343 1 1.66
  Si2
Si
0.3135 0.37443 0.43591 1 1.76
  Si3
Si
0.3862 0.25 0.3846 1 2.02
  Si4
Si
0.3886 0.25 0.2335 1 2.07
  Si5
Si
0.3103 0.37435 0.1917 1 1.66
  Si6
Si
0.2129 0.43262 0.07141 1 1.68
  Si7a
Si
0 0.4673 0.0687 1 3.17
  Si8a
Si
0 0.547 0.2006 0.5 1.57
  Si9a
Si
0 0.4728 0.3269 0.5 1.26
  Si10
Si
0 0.5463 0.4581 0.5 1.81
  Si8b
Si
0 0.55 0.1813 0.5 2.28
  Si9b
Si
0 0.4705 0.3044 0.5 2.21
  Si11
Si
0 0.5745 0.4298 0.5 1.73
  F1
F
0.443 0.317 0.279 0.25 4.81
  O1
O
0.25 0.5 0.306 1 4.5
  O2
O
0.0946 0.4312 0.3178 1 3
  O3
O
0.2409 0.3941 0.2513 1 4.42
  O4
O
0.2544 0.4021 0.377 1 5.6
  O5
O
0.3393 0.3068 0.4204 1 5.05
  O6
O
0.5 0.25 0.3968 1 4.97
  O7
O
0.3595 0.25 0.3093 1 5.05
  O8
O
0.3325 0.3047 0.1969 1 3.71
  O9
O
0.2531 0.3849 0.1238 1 3
  O10
O
0.4062 0.4134 0.1921 1 5.52
  O11
O
0.25 0.5 0.0892 1 2.44
  O12
O
0.25 0.3757 0.5 1 5.29
  O13
O
0.4074 0.4128 0.4491 1 5.52
  O14
O
0.0957 0.4287 0.0732 1 3.07
  O15
O
0.5 0.25 0.2153 1 5.36
  O16
O
0.25 0.4132 0 1 2.68
  O17
O
0 0.5157 0.0193 0.5 3.86
  O18
O
0 0.5275 0.1052 0.5 2.76
  O19
O
0 0.4931 0.1511 0.5 4.34
  O20
O
0 0.4914 0.23 0.5 3.94
  O21
O
0 0.5261 0.2755 0.5 4.57
  O22
O
0 0.5297 0.3522 0.5 2.84
  O23
O
0 0.4887 0.4733 0.5 3.86
  O24
O
0 0.4986 0.3997 0.5 4.02
  N1
N
0 0.25 0.1878 1 3.07
  C1
C
0 0.3042 0.244 0.5 1.89
  C2
C
0.088 0.2788 0.1894 0.5 2.68
  C3
C
0 0.301 0.125 0.5 2.68
  C31
C
0 0.2765 0.312 0.5 1.73
  C32
C
0.088 0.25 0.3433 1 4.81
  C33
C
0.0885 0.25 0.4068 1 4.02
  C34
C
0 0.25 0.439 1 13.4
  C41
C
0 0.25 0.063 1 6.07
  C42
C
0.0874 0.25 0.0297 1 3.15
  C43
C
0.086 0.2825 -0.029 0.5 3.23
  F42
F
0.159 0.25 0.056 0.5 15