Database of Zeolite Structures
 
Framework Type MFS
Powder Diffraction Pattern for ZSM-57, SiO2 Framework
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 m m 2   (# 44)   
  Cell parameters: a = 7.451 Å b = 14.1711Å c = 18.767 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |H1.5| [Al1.5Si34.5O72]-MFS
  Refinement: DLS refinement.
  Reference: Schlenker, J.L., Higgins, J.B. and Valyocsik, E.W.
Zeolites, 10, 293-296 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0 0 0 1 0
  SI2
Si
0 0.2043 0.9486 1 0
  SI3
Si
0 0.6998 0.7986 1 0
  SI4
Si
0.2941 0 0.1176 1 0
  SI5
Si
0.2057 0.1963 0.1848 1 0
  SI6
Si
0.2939 0.7017 0.0427 1 0
  SI7
Si
0 0.5 0.8668 1 0
  SI8
Si
0.2945 0.5 0.9848 1 0
  O1
O
0 0.0915 0.9503 1 0
  O2
O
0.1754 0 0.0473 1 0
  O3
O
0 0.2369 0.8678 1 0
  O4
O
0.1755 0.2405 0.9876 1 0
  O5
O
0.8255 0.7253 0.7524 1 0
  O6
O
0 0.5912 0.8173 1 0
  O7
O
0.5 0 0.0946 1 0
  O8
O
0.2531 0.0916 0.1632 1 0
  O9
O
0 0.2031 0.2079 1 0
  O10
O
0.2441 0.2688 0.1221 1 0
  O11
O
0.5 0.7234 0.0276 1 0
  O12
O
0.5 0.5 0.9611 1 0
  O13
O
0.1748 0.5 0.9149 1 0
  O14
O
0.257 0.5917 0.0319 1 0


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