Database of Zeolite Structures
 
Framework Type FER
Powder Diffraction Pattern for Ferrierite, Siliceous
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

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Crystal Data
  Space Group: P n n m   (# 58)   
  Cell parameters: a = 14.07025 Å b = 7.41971Å c = 18.72 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si36O72]-FER
  Refinement: Combined X-ray and neutron Rietveld refinement, Rwp=0.123
  Reference: Morris, R.E., Weigel, S.J., Henson, N.J., Bull, L.M., Janicke, M.T., Chmelka, B.F. and Cheetham, A.K.
J. Am. Chem. Soc., 116, 11849-11855 (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0 0 0.15462 1 0.95
  SI2
Si
-0.0012 0.2905 0.27439 1 1.03
  SI3
Si
0.1999 0.0037 0.08373 1 1.26
  SI4
Si
0.2029 0.2255 0.3315 1 1.26
  SI5
Si
0.795 0.1894 0.682 1 0.47
  O1
O
0 0.5 0.2479 1 1.97
  O2
O
0.0099 0.1788 0.2027 1 3
  O3
O
0.0899 0.0016 0.1039 1 2.29
  O4
O
0.7804 -0.0202 0.656 1 1.89
  O5
O
0.209 0.0377 0 1 0.87
  O6
O
0.2494 0.2851 0.258 1 2.45
  O7
O
0.2403 0.1829 0.1248 1 1.66
  O8
O
0.7393 0.1675 0.8994 1 2.92
  O9
O
0.0879 0.2462 0.3291 1 2.21
  O10
O
0.904 0.2477 0.6846 1 2.21


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