Database of Zeolite Structures
 
Framework Type SFG
Powder Diffraction Pattern for SSZ-58
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 m m a   (# 51)   
  Cell parameters: a = 25.1118 Å b = 12.4976Å c = 12.8598 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si71.75B2.25O148]-SFG
  Refinement: X-ray Rietveld refinement, Rwp = 0.08, Rexp = 0.073
  Reference: Burton, A., Elomari, S., Medrud, R.C., Chan, I.Y., Chen, C.-Y., Bull, L.M. and Vittoratos, E.S.
J. Am. Chem. Soc., 125, 1633-1642 (2003)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.1345 0.1917 0.3447 1 1.88
  Si2
Si
0.153 0.1237 0.1137 1 1.88
  Si3
Si
0.0786 0.1952 0.741 1 1.88
  Si4
Si
0.1535 0.3784 0.6816 1 1.88
  Si5
Si
0.1887 0 0.4586 1 1.88
  Si6
Si
0.1499 0 0.6907 1 1.88
  Si7
Si
0.0195 0.1245 0.3833 1 1.88
  Si8
Si
0.1889 0.378 0.4545 1 1.88
  Si9
Si
0.25 0.1943 0.9882 1 1.88
  Si10
Si
0.25 0 0.8389 1 1.88
  Si11
Si
0.0582 0.1264 0.9634 1 1.88
  Si12
Si
0.25 0.376 0.8283 1 1.88
  O1
O
0.1638 0.1056 0.4152 1 3
  O2
O
0.0746 0.1842 0.3747 1 3
  O3
O
0.1534 0.311 0.3771 1 3
  O4
O
0.1463 0.1729 0.2272 1 3
  O5
O
0.2006 0.1842 0.064 1 3
  O6
O
0.1647 0 0.1211 1 3
  O7
O
0.1 0.147 0.0543 1 3
  O8
O
0.0749 0.1916 0.8617 1 3
  O9
O
0.0227 0.1767 0.6889 1 3
  O10
O
0.1193 0.1077 0.7007 1 3
  O11
O
0.1028 0.3124 0.7089 1 3
  O12
O
0.1343 0.5 0.6846 1 3
  O13
O
0.1753 0.3484 0.5709 1 3
  O14
O
0.1975 0.3467 0.7636 1 3
  O15
O
0.1792 0 0.581 1 3
  O16
O
0.25 0 0.4275 1 3
  O17
O
0.1997 0 0.7679 1 3
  O18
O
0 0.1429 0.5 1 3
  O19
O
0.0214 0 0.3626 1 3
  O20
O
0.25 0.3498 0.4374 1 3
  O21
O
0.1764 0.5 0.4277 1 3
  O22
O
0.25 0.3077 0.9318 1 3
  O23
O
0.25 0.1051 0.9037 1 3
  O24
O
0 0.1621 0 1 3
  O25
O
0.0586 0 0.931 1 3
  O26
O
0.25 0.5 0.8618 1 3


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