Database of Zeolite Structures
 
Framework Type AEN
Powder Diffraction Pattern for AlPO-EN3
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
Crystal Data
  Space Group: P 21 21 21   (# 19)   
  Cell parameters: a = 10.321 Å b = 13.631Å c = 17.454 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(MA)8.5(H2O)14| [Al24P24O96]-AEN
MA = CH5N = methylamine = methanamine
SMILES: CN   Images:  stick or 3D
  Refinement: X-ray single crystal refinement. Rp = 0.140, Rwp = 0.182, RF^{2 = 0.103
  Reference: Kirchner, R.M., Grosse-Kunstleve, R.W., Pluth, J.J., Wilson, S.T., Broach, R.W. and Smith, J.V.
Microporous Mesoporous Mat., 39, 319-332 (2000)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  P1
P
0.8718 0.0088 0.0463 1 1.05
  P2
P
0.1248 0.3179 0.1721 1 1.05
  P3
P
0.1135 0.817 0.8271 1 1.05
  P4
P
0.881 0.4973 0.9579 1 1.05
  P5
P
0.1237 0.72 0.0851 1 1.05
  P6
P
0.1289 0.2104 0.9227 1 1.05
  Al1
Al
0.1124 0.9905 0.946 1 1.22
  Al2
Al
0.875 0.8123 0.1446 1 1.22
  Al3
Al
0.1226 0.4884 0.059 1 1.22
  Al4
Al
0.8804 0.3091 0.858 1 1.22
  Al5
Al
0.9268 0.7311 0.9514 1 1.22
  Al6
Al
0.921 0.2354 0.0511 1 1.22
  O1
O
0.8514 0.2491 0.956 1 0.83
  O2
O
0.8494 0.7656 0.0421 1 0.83
  O3
O
0.9414 0.1067 0.0646 1 0.83
  O4
O
0.9102 0.6021 0.9286 1 0.83
  O5
O
0.8696 0.4348 0.8842 1 0.83
  O6
O
0.8749 0.9373 0.1152 1 0.83
  O7
O
0.1273 0.6078 0.0976 1 0.83
  O8
O
0.0863 0.1051 0.9013 1 0.83
  O9
O
0.0864 0.2483 0.0029 1 0.83
  O10
O
0.966 0.4661 0.0268 1 0.83
  O11
O
0.9946 0.2866 0.1359 1 0.83
  O12
O
0.9674 0.9566 0.99 1 0.83
  O13
O
0.044 0.7717 0.1486 1 0.83
  O14
O
0.2307 0.239 0.1688 1 0.83
  O15
O
0.1777 0.4108 0.1322 1 0.83
  O16
O
0.9831 0.773 0.8558 1 0.83
  O17
O
0.0876 0.7357 0.9998 1 0.83
  O18
O
0.0946 0.3485 0.2546 1 0.83
  O19
O
0.7355 0.0268 0.0144 1 0.83
  O20
O
0.2163 0.7365 0.8383 1 0.83
  O21
O
0.9102 0.3467 0.7561 1 0.83
  O22
O
0.2701 0.7347 0.0944 1 0.83
  O23
O
0.7596 0.2456 0.1026 1 0.83
  O24
O
0.0393 0.2626 0.8658 1 0.83
  O25
O
0.849 0.4091 0.6274 1 0.83
  O26
O
0.758 0.4987 0.49 1 0.83
  H2O1
O2-(H2O)
0.7788 0.3736 0.2476 1 4.74
  H2O2
O2-(H2O)
0.7142 0.1702 0.2521 1 7.11
  N1
N
0.0457 0.5689 0.2542 1 3.95
  C1
C
0.9121 0.5366 0.2338 1 3.95
  N2
N
0.4381 0.4467 0.2655 1 3.95
  C2
C
0.3506 0.5317 0.2604 1 3.95


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