Database of Zeolite Structures
 
Framework Type ANO
Powder Diffraction Pattern for AlPO-91
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 -3 1 c   (# 163)   
  Cell parameters: a = 12.8814 Å b = 12.8814Å c = 40.981 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al48P48O192]-ANO
  Refinement: X-ray Rietveld refinement, Rp=0.057, Rwp=0.071
  Reference: Yuhas, B.D., Wilson, K.N., Sylejmani-Rekaliu, M., Mowat, J.P.S., Sinkler, W.
US Patent 10336,622 B1, , (2019)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Al1
Al
-0.243 -0.241 0.0362 1 4.6
  Al2
Al
0.422 0.327 0.596 1 4.6
  Al3
Al
-0.249 -0.249 0.6544 1 4.6
  Al4
Al
0.328 0.418 0.7135 1 4.6
  P1
P
0.239 0.242 0.5373 1 2.97
  P2
P
-0.426 -0.3382 0.0939 1 2.97
  P3
P
0.243 0.246 0.1565 1 2.97
  P4
P
-0.3427 -0.422 0.2119 1 2.97
  O1
O
0.112 0.2052 0.0405 1 3.9
  O2
O
0.284 0.283 0.0031 1 3.9
  O3
O
0.2567 0.134 0.0443 1 3.9
  O4
O
0.317 0.341 0.0618 1 3.9
  O5
O
-0.333 -0.361 0.5619 1 3.9
  O6
O
0.464 0.542 0.0972 1 3.9
  O7
O
0.219 0.4599 0.0963 1 3.9
  O8
O
0.315 0.34 0.13 1 3.9
  O9
O
-0.324 -0.341 0.6221 1 3.9
  O10
O
0.118 0.2256 0.1557 1 3.9
  O11
O
0.25 0.133 0.1504 1 3.9
  O12
O
0.296 0.296 0.1895 1 3.9
  O13
O
-0.318 -0.322 0.6893 1 3.9
  O14
O
0.54 0.463 0.2019 1 3.9
  O15
O
0.4486 0.211 0.2091 1 3.9
  O16
O
0.377 0.3454 0.2529 1 3.9