Database of Zeolite Structures
 
Framework Type APC
Powder Diffraction Pattern for AlPO-C, Hydrated
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

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Crystal Data
  Space Group: P b c a   (# 61)   
  Cell parameters: a = 19.3525 Å b = 9.7272Å c = 9.7621 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al16P16O64]-APC
  Refinement: X-ray single crystal refinement, R=0.033
  Reference: Pluth, J.J. and Smith, J.V.
Acta Crystallogr., C42, 1118-1120 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  AL1
Al
0.44808 0.0847 0.32419 1 0.23
  AL2
Al
0.28207 0.33224 0.14654 1 0.21
  P1
P
0.44769 0.34071 0.13498 1 0.22
  P2
P
0.2905 0.06565 0.33879 1 0.21
  O1
O
0.37433 0.3765 0.1701 1 0.39
  O2
O
0.46047 0.1662 0.4804 1 0.45
  O3
O
0.4952 0.4497 0.1971 1 0.42
  O4
O
0.46889 0.2004 0.1942 1 0.34
  O5
O
0.27397 0.0582 0.4913 1 0.29
  O6
O
0.36522 0.019 0.3136 1 0.42
  O7
O
0.28329 0.2158 0.2953 1 0.34
  O8
O
0.25855 0.4758 0.2592 1 0.29
  H1
H
0.15752 0.2988 0.0523 1 5.26
  H2
H
0.16096 0.2574 0.1883 1 3.95
  H3
H
0.28123 0.1025 0.0541 1 1.74
  H4
H
0.30108 0.1902 0.949 1 1.42
  O9
O
0.18446 0.2831 0.1193 1 0.58
  O10
O
0.30512 0.173 0.034 1 0.39
  O11
O
0.11929 0.144 0.3627 1 1.5


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