Database of Zeolite Structures
 
Framework Type VET
Powder Diffraction Pattern for VPI-8
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: P -4   (# 81)   
  Cell parameters: a = 13.045 Å b = 13.045Å c = 5.034 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si17O34]-VET
  Refinement: X-ray Rietveld refinement, Rwp=0.125, Rp=0.102
  Reference: Freyhardt, C.C., Lobo, R.F., Khodabandeh, S., Lewis, J.E., Tsapatsis, M., Yoshikawa, M., Camblor, M.A., Pan, M., Helmkamp, M.M., Zones, S.I. and Davis, M.E.
J. Am. Chem. Soc., 118, 7299-7310 (1996)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  SI1
Si
0 0 0.5 1 1.03
  SI2
Si
0.1991 0.0485 0.7568 1 1.03
  SI3
Si
0.8341 0.283 0.7444 1 1.03
  SI4
Si
0.6512 0.1468 0.763 1 1.03
  SI5
Si
0.5182 0.12278 0.2656 1 1.03
  O34
O
0.7159 0.2492 0.7089 1 1.97
  O32
O
0.8867 0.2442 0.0133 1 1.97
  O35
O
0.8253 0.4062 0.748 1 1.97
  O24
O
0.7243 0.0464 0.7842 1 1.97
  O55
O
0.5 0 0.243 1 1.97
  O12
O
0.0746 0.0195 0.7489 1 1.97
  O54
O
0.5575 0.1441 0.5614 1 1.97
  O45
O
0.5998 0.1581 0.0521 1 1.97
  O23
O
0.9048 0.234 0.5175 1 1.97