Database of Zeolite Structures
 
Framework Type LEV
Powder Diffraction Pattern for 1-aminoadamantane NU-3
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

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Crystal Data
  Space Group: R -3 m   (# 166)   
  Cell parameters: a = 13.2251 Å b = 13.2251Å c = 22.2916 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Si54O108]-LEV
  Refinement: X-ray Rietveld refinement, Rwp=0.104, RF=0.060
  Comment: hexagonal setting
  Reference: McCusker, L.B.
Mater. Sci. Forum, 133-136, 423-433 (1993)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0.2327 0.0006 0.0694 1 0.95
  SI2
Si
0.33333 -0.0943 0.16667 1 0.95
  O1
O
0.2641 0 0 1 1.18
  O2
O
0.0956 -0.0956 0.0795 1 1.82
  O3
O
0.2492 0.1246 0.089 1 1.26
  O4
O
0.446 -0.108 0.1544 1 1.11
  O5
O
0.3121 -0.034 0.1078 1 1.03
  C1
C
0 0 0.219 1 5.37
  C2
C
0.0635 0.127 0.2449 1 5.37
  C3
C
0.0651 0.1302 0.313 1 5.37
  C4
C
0.1248 0.0624 0.3386 1 5.37
  N1
N
0.1254 0.2508 0.332 0.333 5.37


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