Database of Zeolite Structures
 
Framework Type KLW
Powder Diffraction Pattern for LEU-2
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 1 2/c 1   (# 13)   
  Cell parameters: a = 10.022 Å b = 5.0371Å c = 16.985 Å
    α = 90° β = 111.509° γ = 90 °
  Chemical Formula |(H2O)0.88| [Si16O32]-KLW
  Refinement: Rietveld refinement
  Reference: Bae, J., Plessers, D., Ivanushkin, G., Bugaev, A., McCusker, L.B. and Dusselier, M.
Adv. Mater., 2504932, (2025)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.2036 0.479 0.1092 1 1
  Si2
Si
0.3351 0.986 0.2125 1 1
  Si3
Si
0.1548 0.961 0.3251 1 1
  Si4
Si
0.124 0.443 0.4174 1 1
  O1
O
0.2019 0.466 0.0141 1 2
  O2
O
0.0458 0.418 0.1073 1 2
  O3
O
0.2461 0.768 0.146 1 2
  O4
O
0.3168 0.268 0.1669 1 2
  O5
O
0 1.025 0.25 1 2
  O6
O
0.5 0.902 0.25 1 2
  O7
O
0.2801 1 0.2894 1 2
  O8
O
0.1833 0.16 0.4039 1 2
  O9
O
0.157 0.659 0.3575 1 2
  O20
O
0.5 0.5 0.5 0.44 2


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