Database of Zeolite Structures
 
Framework Type AFX
Powder Diffraction Pattern for SAPO-56
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
Crystal Data
  Space Group: P -3 1 c   (# 163)   
  Cell parameters: a = 13.7617 Å b = 13.7617Å c = 19.949 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al23Si5P20O96]-AFX
  Refinement: X-ray Rietveld refinement, Rexp=0.068, Rwp=0.219
  Reference: McGuire, N.K., Blackwell, C.S., Bateman, C.A., Wilson, S.T. and Kirchner, R.M.
private communication, , (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  AL1
Al
0.001 0.225 0.077 1 1.185
  AL2
Al
0.338 0.439 0.173 1 1.185
  P1
P
0.107 0.441 0.179 1 1.422
  P2
P
0.231 0.229 0.079 1 1.422
  O1
O
-0.126 0.112 0.104 1 1.974
  O2
O
0.105 0.189 0.093 1 1.974
  O3
O
0.024 0.348 0.119 1 1.974
  O4
O
0.013 0.277 -0.006 1 1.974
  O5
O
0.231 0.469 0.159 1 1.974
  O6
O
0.095 0.54 0.143 1 1.974
  O7
O
0.073 0.4 0.242 1 1.974
  O8
O
0.319 0.323 0.125 1 1.974


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