Database of Zeolite Structures
 
Framework Type AET
Powder Diffraction Pattern for AlPO-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: C m c m   (# 63)   
  Cell parameters: a = 33.29 Å b = 14.7036Å c = 8.3863 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al36P36O144]-AET
  Refinement: Neutron Rietveld refinement, Rwp=0.043, RF2=0.077
  Reference: Richardson Jr., J.W. and Vogt, E.T.C.
Zeolites, 12, 13-19 (1992)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  T11
Si
0.1904 0.416 0.066 1 0.01
  T12
Si
0 0.132 -0.028 1 12.4
  T21
Si
0.0878 0.094 0.055 1 0.01
  T22
Si
0.274 0.404 -0.061 1 0.01
  T23
Si
0.1573 0.226 -0.071 1 0.01
  O11
O
0.1767 0.5 0 1 0.3
  O12
O
0 0 0 1 12.8
  O21
O
0.1772 0.402 0.25 1 0.01
  O22
O
0 0.127 -0.25 1 12.5
  O31
O
0.0456 0.133 0.018 1 2
  O32
O
0.2317 0.394 0.02 1 3
  O33
O
0.158 0.324 0.031 1 3
  O41
O
0.1993 0.175 0.017 1 3
  O42
O
0.0906 0 0 1 3
  O51
O
0.0847 0.096 0.25 1 6.6
  O52
O
0.259 0.378 -0.25 1 6.6
  O53
O
0.1444 0.232 -0.25 1 6.6
  O61
O
0.1154 0.174 0.002 1 3
  O62
O
0.2865 0.5 0 1 3