Database of Zeolite Structures
 
Framework Type LOS
Powder Diffraction Pattern for Losod
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 63 m c   (# 186)   
  Cell parameters: a = 12.906 Å b = 12.906Å c = 10.541 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Na12 (H2O)18 | [Al12Si12O48]-LOS
  Refinement: X-ray Rietveld refinement, Rwp=0.154, RF=0.084, Rexp=0.136
  Reference: Schicker, P.
Ph.D. Thesis, ETH, Zurich, Switzerland, , (1988)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.897 0.449 -0.018 0.98 11.2
  NA2
Na
0.846 0.1539 -0.24 0.73 5.5
  NA3
Na
0 0 -0.45 0.52 0
  NA4
Na
0.6667 0.3333 -0.66 0.6 1.5
  SI1
Si
0.25 -0.002 0 0.5 1.5
  AL1
Al
0.25 -0.002 0 0.5 1.5
  SI2
Si
0.414 0.084 0.248 0.5 1.9
  AL2
Al
0.414 0.084 0.248 0.5 1.9
  O1
O
0.22 0.11 -0.006 1 4.4
  O2
O
0.358 0.025 0.102 1 2.1
  O3
O
0.4581 0.229 0.257 1 5.8
  O4
O
0.529 0.058 0.267 1 4.1
  O5
O
0.125 -0.125 0.035 1 14.3
  O6
O
0.312 0.007 0.354 1 3.5
  H2O1
O2-(H2O)
0.749 0.251 -0.22 0.87 12.9
  H2O2
O2-(H2O)
0.774 0.387 -0.442 0.88 13.7
  H2O3
O2-(H2O)
0 0 -0.61 0.53 0.5
  H2O4
O2-(H2O)
0 0 -0.24 0.52 0
  H2O5
O2-(H2O)
0.6667 0.3333 0.06 0.86 11.5