Database of Zeolite Structures
 
Framework Type NSI
Powder Diffraction Pattern for Nu-6(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 21/a 1   (# 14)   
  Cell parameters: a = 17.2569 Å b = 4.9881Å c = 13.8482 Å
    α = 90° β = 106.091° γ = 90 °
  Chemical Formula [Si12O24]2-NSI
  Refinement:
  Reference: Zanardi, S., Alberti, A., Cruciani, G., Corma, A., Fornés, V. and Brunelli, M.
Angew. Chem. Int. Ed., 43, 4933-4937 (2004)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0.3286 0.2344 0.3038 1 0.0134
  SI2
Si
0.5921 0.7965 0.2688 1 0.0134
  SI3
Si
0.3093 0.6423 0.0109 1 0.0134
  SI4
Si
0.3501 0.729 -0.1906 1 0.0134
  SI5
Si
0.4068 0.7245 0.2323 1 0.0134
  SI6
Si
0.6973 0.952 0.4901 1 0.0134
  O1
O
0.3737 0.6247 0.1175 1 0.0163
  O2
O
0.3852 0.4824 0.2984 1 0.0163
  O3
O
0.6402 0.8547 0.3845 1 0.0163
  O4
O
0.722 0.2636 0.4952 1 0.0163
  O5
O
0.3612 0.7092 -0.0688 1 0.0163
  O6
O
0.5013 0.7259 0.2598 1 0.0163
  O7
O
0.4167 0.9246 -0.2075 1 0.0163
  O8
O
0.2481 0.885 0.0176 1 0.0163
  O9
O
0.3639 -0.0105 0.2527 1 0.0163
  O10
O
0.3462 0.1404 0.4236 1 0.0163
  O11
O
0.3639 0.4331 -0.2289 1 0.0163
  O12
O
0.2392 0.315 0.2504 1 0.0163


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