Database of Zeolite Structures
 
Framework Type APC
Powder Diffraction Pattern for AlPO-C, Dehydrated
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 b c a   (# )   
  Cell parameters: a = 19.816 Å b = 10.047Å c = 8.935 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray Rietveld refinement, Rwp=0.17, RF=0.051
  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)
   
  AL1
Al
0.455 0.16 0.36 1 0.3
  AL2
Al
0.297 0.423 0.197 1 1.5
  P1
P
0.456 0.424 0.206 1 2.7
  P2
P
0.293 0.145 0.346 1 0.3
  O1
O
0.384 0.465 0.222 1 9
  O2
O
0.465 0.143 0.546 1 0.7
  O3
O
0.5 0.539 0.238 1 1.5
  O4
O
0.476 0.317 0.323 1 0.5
  O5
O
0.28 0.11 0.506 1 1.3
  O6
O
0.37 0.124 0.313 1 5.1
  O7
O
0.278 0.284 0.297 1 0.1
  O8
O
0.249 0.56 0.241 1 3.3