Database of Zeolite Structures
 
Framework Type LEV
Powder Diffraction Pattern for Levyne
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: R -3 m   (# 166)   
  Cell parameters: a = 13.338 Å b = 13.338Å c = 23.014 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Ca9 (H2O)50 | [Al18Si36O108]-LEV
  Refinement: X-ray single crystal refinement, R=0.07
  Comment: hexagonal setting
  Reference: Merlino, S., Galli, E. and Alberti, A.
Tschermaks Min. Petr. Mitt., 22, 117-129 (1975)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA2
Na
0 0 0.2782 0.12 3.4
  NA3
Na
0 0 0.4095 0.12 9.4
  NA4
Na
0 0 0.4498 0.06 0.7
  NA5
Na
0 0 0.5 0.12 0.7
  K2
K
0 0 0.2782 0.06 3.4
  K3
K
0 0 0.4095 0.06 9.4
  CA1
Ca
0 0 0.1389 1 3.48
  CA2
Ca
0 0 0.2782 0.12 3.4
  CA3
Ca
0 0 0.4095 0.12 9.4
  CA4
Ca
0 0 0.4498 0.06 0.7
  SI1
Si
0.0001 0.2322 0.0697 0.65 1.39
  SI2
Si
0.2396 0 0.5 0.65 1.32
  AL1
Al
0.0001 0.2322 0.0697 0.35 1.39
  AL2
Al
0.2396 0 0.5 0.35 1.32
  O1
O
0.0339 0.3493 0.1079 1 2.72
  O2
O
0.092 -0.092 0.0827 1 2.98
  O3
O
0.1275 -0.1275 -0.091 1 3.45
  O4
O
0.2643 0 0 1 3.83
  O5
O
0.2219 -0.2219 0.1793 1 2.98
  H2O1
O2-(H2O)
0.2567 -0.2567 -0.1241 1 4.8
  H2O2
O2-(H2O)
0.1222 -0.1222 0.2852 0.74 8
  H2O3
O2-(H2O)
0.2547 -0.2547 0.0187 0.54 6.5
  H2O4
O2-(H2O)
0.5429 -0.5429 -0.0445 0.28 5.7


Copyright © 2017 Structure Commission of the International Zeolite Association (IZA-SC)