Database of Zeolite Structures
 
Framework Type APD
Powder Diffraction Pattern for AlPO-D
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 c a 21   (# 29)   
  Cell parameters: a = 19.187 Å b = 8.576Å c = 9.804 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al16P16O64]-APD
  Refinement: X-ray Rietveld refinement, Rwp=0.203, RF=0.115
  Reference: Keller, E.B., Meier, W.M. and Kirchner, R.M.
Solid State Ionics, 43, 93-102 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  AL11
Al
0.531 0.065 0.133 1 9.1
  AL12
Al
0.572 0.574 0.385 1 4
  AL21
Al
0.721 0.074 0.32 1 0.2
  AL22
Al
0.681 0.572 0.026 1 0.8
  P11
P
0.574 -0.031 0.421 1 6.9
  P12
P
0.529 0.473 0.107 1 2.5
  P21
P
0.68 -0.051 0.04 1 0.8
  P22
P
0.724 0.453 0.298 1 0.2
  O11
O
0.645 0.035 0.406 1 1.3
  O12
O
0.593 0.526 0.031 1 0
  O21
O
0.531 0.284 0.13 1 8.7
  O22
O
0.584 0.784 0.418 1 4
  O31
O
0.54 0.017 0.553 1 6.4
  O32
O
0.469 0.518 0.019 1 0.8
  O41
O
0.532 0.018 0.302 1 5.1
  O42
O
0.524 0.557 0.238 1 0.8
  O51
O
0.691 0.773 0.06 1 4
  O52
O
0.734 0.278 0.32 1 8
  O61
O
0.601 -0.015 0.045 1 0.7
  O62
O
0.655 0.498 0.361 1 9.4
  O71
O
0.716 0.025 0.154 1 0.8
  O72
O
0.724 0.478 0.15 1 0.8
  O81
O
0.789 -0.01 0.405 1 0.8
  O82
O
0.719 0.539 0.869 1 6.2