Database of Zeolite Structures
 
Framework Type AEI
Powder Diffraction Pattern for AlPO-18, Calcined
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 1 2/c 1   (# 15)   
  Cell parameters: a = 13.7114 Å b = 12.7315Å c = 18.5706 Å
    α = 90° β = 90.01° γ = 90 °
  Chemical Formula [Al24P24O96]-AEI
  Refinement: X-ray Rietveld refinement, Rexp=0.047, Rwp=0.108, RF=0.032
  Comment: unique axis b, cell choice 1
  Reference: Simmen, A., McCusker, L.B., Baerlocher, Ch. and Meier, W.M.
Zeolites, 11, 654-661 (1991)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  AL1
Al
0.88997 0.95872 0.16598 1 0.75
  AL2
Al
0.88129 0.22661 0.93877 1 0.96
  AL3
Al
0.22953 0.09687 0.04922 1 1.42
  P1
P
0.77251 0.09559 0.05384 1 1.42
  P2
P
0.10981 0.23135 0.93763 1 0.96
  P3
P
0.11634 0.96983 0.16394 1 0.75
  O1
O
0.17723 0.05318 0.12913 1 0.72
  O2
O
0.14278 0.16702 0.00209 1 0.72
  O3
O
0.00371 0.25884 0.94574 1 0.72
  O4
O
0.84714 0.16747 0.02039 1 0.72
  O5
O
0.81686 0.04552 0.12009 1 0.72
  O6
O
0.01022 0.99732 0.15632 1 0.72
  O7
O
0.13601 0.8626 0.1323 1 0.72
  O8
O
0.33199 0.16953 0.06981 1 0.72
  O9
O
0.85795 0.96546 0.25665 1 0.72
  O10
O
0.81531 0.33988 0.92509 1 0.72
  O11
O
0.12779 0.16274 0.8723 1 0.72
  O12
O
0.26213 -0.01281 0.99849 1 0.72