Database of Zeolite Structures
 
Framework Type SWY
Powder Diffraction Pattern for STA-20
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 -3 1 c   (# 163)   
  Cell parameters: a = 13.15497 Å b = 13.15497Å c = 30.5833 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al36P30.4Si5.6O144]-SWY
  Refinement: X-ray synchrotron Rietveld refinement, Rwp=0.047,Rp=0.036
  Reference: Turrina, A., Garcia, R., Watts, A.E., Greer, H.F., Bradley, J., Zhou, W., Cox, P.A., Shannon, M.D., Mayoral, A., Casci, J.L. and Wright, P.A.
Chem. Mater., 29, 2180-2190 (2017)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  P1
P
0.23862 0.23032 0.05157 0.95 0.46
  Si1
Si
0.23862 0.23032 0.05157 0.05 0.46
  P2
P
0.23733 0.23589 0.20008 0.95 0.46
  Si2
Si
0.23733 0.23589 0.20008 0.05 0.46
  P3
P
0.66699 0.57353 0.62448 0.95 0.46
  Si3
Si
0.66699 0.57353 0.62448 0.05 0.46
  Al1
Al
0.3319 0.419 0.12439 1 0.46
  Al2
Al
0.2361 1.002 0.19875 1 0.46
  Al3
Al
0.2317 0.992 0.05009 1 0.46
  O1
O
0.3207 0.3343 0.07975 1 0.75
  O2
O
0.3185 0.3409 0.1716 1 0.75
  O3
O
0.6769 0.6414 0.5824 1 0.75
  O4
O
0.6767 0.6491 0.66494 1 0.75
  O5
O
0.2745 0.2646 0.0042 1 0.75
  O6
O
0.1139 0.2003 0.0593 1 0.75
  O7
O
0.2213 0.4542 0.1231 1 0.75
  O8
O
0.1088 0.2002 0.1936 1 0.75
  O9
O
0.2504 0.126 0.06392 1 0.75
  O10
O
0.2499 0.1348 0.1842 1 0.75
  O11
O
0.46628 0.5452 0.12401 1 0.75
  O12
O
0.2781 0.2685 0.24729 1 0.75