Database of Zeolite Structures
 
Framework Type EWO
Powder Diffraction Pattern for ECNU-21
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 2 2 2   (# 21)   
  Cell parameters: a = 13.7419 Å b = 17.166Å c = 5.0296 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si23.3Ge0.7O48]-EWO
  Refinement: X-ray Rietveld refinement, RI = 0.018, Rwp = 0.133, Rexp = 0.089
  Reference: Liu, X., Mao, W., Jiang, J., Lu, X., Peng, M., Xu, H., Han, L., Che, S. and Wu, P.
Chem. Eur. J., 25, 4520-4529 (2019)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Ge1
Ge
0.208 0.334 0.979 0.019 3.3
  Si1
Si
0.208 0.334 0.979 0.981 3.3
  Ge2
Ge
0.2016 0.0908 0.47 0.032 3.3
  Si2
Si
0.2016 0.0908 0.47 0.968 3.3
  Si3
Si
0 0.1701 0.5 1 3.3
  Ge4
Ge
0 0.2824 0 0.07 3.3
  Si4
Si
0 0.2824 0 0.93 3.3
  O01
O
0.2349 0.3639 0.687 1 2.5
  O02
O
0.2444 0.1086 0.185 1 2.5
  O03
O
0.0938 0.3364 0.029 1 2.5
  O04
O
0.25 0.25 0.038 1 2.5
  O05
O
0.011 0.2262 0.751 1 2.5
  O06
O
0.2064 0 0.5 1 2.5
  O07
O
0.0924 0.115 0.477 1 2.5