Database of Zeolite Structures
 
Framework Type ATV
Powder Diffraction Pattern for AlPO-25
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: A c m m   (# 67)   
  Cell parameters: a = 9.4489 Å b = 15.2028Å c = 8.4084 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al12P12O48]-ATV
  Refinement: Neutron Rietveld refinement, Rwp=0.041, RF2=0.133
  Comment: Non-standard -cba setting
  Reference: Richardson Jr., J.W., Smith, J.V. and Pluth, J.J.
J. Phys. Chem., 94, 3365-3367 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  AL1
Al
0.3535 0.0982 0.1987 0.5 2.63
  AL2
Al
0.1566 0.25 0.3142 0.5 0.92
  P1
P
0.3535 0.0982 0.1987 0.5 2.63
  P2
P
0.1566 0.25 0.3142 0.5 0.92
  O1
O
0.3017 0 0.25 1 1.95
  O2
O
0.5 0.1275 0.25 1 2.08
  O3
O
0.2317 0.1625 0.2497 1 2.53
  O4
O
0.3308 0.0971 0 1 2.95
  O5
O
0 0.25 0.25 1 1.84
  O6
O
0.1076 0.25 0.5 1 5.76