Database of Zeolite Structures
 
Framework Type SAF
Powder Diffraction Pattern for STA-15
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: I b a 2   (# 45)   
  Cell parameters: a = 14.7953 Å b = 27.3634Å c = 8.3446 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |TPA+1.8(OH)1.8(H2O)3| [Al32P32O128]-SAF
TPA+ = C12H28N+ = tetrapropylammonium ion
= tetrapropylazanium
SMILES: CCC[N+](CCC)(CCC)CCC   Images:  stick or 3D
  Refinement:
  Reference: Han, Z., Picone, A.L., Slawin, A.M.Z., Seymour, V.R., Ashbrook, S.E., Zhou, W., Thompson, S.P., Parker, J.E. and Wright, P.A.
Chem. Mater., 22, 338-346 (2010)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  P1
P
0.9023 0.78324 0.167 1 3
  P2
P
0.9059 0.66998 0.6631 1 3
  P3
P
0.7201 0.63889 0.1563 1 3
  P4
P
0.3978 0.55229 0.1563 1 3
  Al1
Al
0.9067 0.77968 0.7878 1 3
  Al2
Al
0.8999 0.67376 0.2838 1 3
  Al3
Al
0.5931 0.55478 0.2777 1 3
  Al4
Al
0.2708 0.63361 0.2838 1 3
  O1
O
0.8853 0.73362 0.24 1 3
  O2
O
0.9912 0.80303 0.2293 1 3
  O3
O
0.8243 0.81536 0.2184 1 3
  O4
O
0.8998 0.7807 0.9891 1 3
  O5
O
0.8931 0.72135 0.7218 1 3
  O6
O
0.8401 0.6349 0.7432 1 3
  O7
O
0.8973 0.66701 0.4854 1 3
  O8
O
0.9996 0.6523 0.2078 1 3
  O9
O
0.8185 0.63735 0.2024 1 3
  O10
O
0.6775 0.68709 0.2001 1 3
  O11
O
0.7123 0.6282 0.9824 1 3
  O12
O
0.6733 0.5972 0.2398 1 3
  O13
O
0.4859 0.57165 0.2226 1 3
  O14
O
0.3781 0.50091 0.2077 1 3
  O15
O
0.317 0.58383 0.1929 1 3
  O16
O
0.4091 0.54875 0.9799 1 3
  C1
C
0.018 0.52593 0.7884 1 2.97
  C2
C
0.1111 0.525 0.8634 1 2.97
  C3
C
0.1527 0.4771 0.8251 1 2.97


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)