Database of Zeolite Structures
 
Framework Type AFN
Powder Diffraction Pattern for AlPO-14, Calcined
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 -1   (# 12)   
  Cell parameters: a = 9.7041 Å b = 9.7361Å c = 10.202 Å
    α = 77.811° β = 77.504° γ = 87.691 °
  Refinement: X-ray Rietveld refinement, RF = 0.059, RP = 0.114, RwP = 0.135
  Reference: Broach, R.W., Wilson, S.T. and Kirchner, R.M.
Proc. 12th Int. Zeolite Conf., III, pp. 1715-1722 (1999)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Al1
Al
0.273 0.7425 0.8445 1 0.79
  Al2
Al
0.4322 0.2004 0.908 1 0.79
  Al3
Al
0.8141 0.0506 0.6558 1 0.79
  Al4
Al
0.0699 0.4732 0.2015 1 0.79
  P1
P
0.5246 0.9351 0.7996 1 1.03
  P2
P
0.201 0.4282 0.901 1 1.03
  P3
P
0.9511 0.1884 0.3437 1 1.03
  P4
P
0.752 0.274 0.84 1 1.03
  O1
O
0.0766 0.4368 0.8348 1 0.79
  O2
O
0.3024 0.3126 0.8628 1 0.79
  O3
O
0.7757 0.2329 -0.0177 1 0.79
  O4
O
0.4396 0.642 0.8307 1 0.79
  O5
O
0.4431 0.8367 0.7641 1 0.79
  O6
O
0.2989 0.5607 0.848 1 0.79
  O7
O
0.0245 0.3297 0.3318 1 0.79
  O8
O
0.8582 0.1495 0.4864 1 0.79
  O9
O
0.9407 0.9216 0.6755 1 0.79
  O10
O
0.1609 0.4094 0.0595 1 0.79
  O11
O
0.8659 0.1898 0.2366 1 0.79
  O12
O
0.6009 0.2911 0.8439 1 0.79
  O13
O
0.8048 0.1556 0.7691 1 0.79
  O14
O
0.3519 0.0299 0.3184 1 0.79
  O15
O
0.4183 0.1391 0.0786 1 0.79
  O16
O
0.821 0.4141 0.7623 1 0.79