Database of Zeolite Structures
 
Framework Type NJO
Powder Diffraction Pattern for NJU120-1, calcined
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: I m m a   (# 74)   
  Cell parameters: a = 18.5225 Å b = 19.8273Å c = 39.3666 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Si179Al13O384]-NJO
  Refinement: Rietveld refinement, Rwp=0.1328, GoF=1.72
  Reference: Ma, C., Zhang, Z., Zhang, M., Tian, X., Lin, C., Han, L., Li, G., Lo, B.T.W., Yung, K.-F., Song, H., Lin, W., Camblor, M.A., Xu, L. and Li, J.
Science , 388, 1417-1421 (2025)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si01
Si
0.5 0.5534 0.3037 1 2
  Si02
Si
0.5 0.3274 0.2954 1 2
  Si03
Si
0.7196 0.6738 0.3011 1 2
  Si04
Si
0.8478 0.4742 0.2634 1 2
  Si05
Si
0.6426 0.3249 0.3372 1 2
  Si06
Si
0.8484 0.6296 0.2659 1 2
  Si07
Si
0.5 0.4451 0.2476 1 2
  Si08
Si
0.5 0.6694 0.2485 1 2
  Si09
Si
0.6469 0.5614 0.3394 1 2
  Si10
Si
0.7189 0.4401 0.305 1 2
  Si11
Si
0.5847 0.3717 0.4048 1 2
  Si12
Si
0.5852 0.5285 0.4051 1 2
  Si13
Si
0.5825 0.4416 0.5222 1 2
  Si14
Si
0.5826 0.3245 0.4744 1 2
  O01
O
0.4304 0.4604 0.2266 1 2
  O02
O
0.7979 0.6448 0.298 1 2
  O03
O
0.7993 0.4467 0.2932 1 2
  O04
O
0.8302 0.4367 0.2284 1 2
  O05
O
0.7066 0.3735 0.3265 1 2
  O06
O
0.5 0.25 0.2845 1 2
  O07
O
0.5 0.3696 0.2606 1 2
  O08
O
0.7258 0.75 0.3142 1 2
  O09
O
0.5709 0.3469 0.3171 1 2
  O10
O
0.6711 0.6338 0.328 1 2
  O11
O
0.7022 0.5044 0.328 1 2
  O12
O
0.5 0.4876 0.2812 1 2
  O13
O
0.5 0.75 0.2594 1 2
  O14
O
0.5677 0.5469 0.3279 1 2
  O15
O
0.4295 0.6504 0.2271 1 2
  O16
O
0.6406 0.5648 0.3799 1 2
  O17
O
0.6807 0.6742 0.2648 1 2
  O18
O
0.662 0.25 0.3283 1 2
  O19
O
0.8381 0.5525 0.2559 1 2
  O20
O
0.5 0.3491 0.403 1 2
  O21
O
0.5 0.6254 0.2834 1 2
  O22
O
0.5 0.5514 0.4 1 2
  O23
O
0.614 0.451 0.5589 1 2
  O24
O
0.6287 0.3307 0.377 1 2
  O25
O
0.6134 0.5 0.5 1 2
  O26
O
0.6165 0.3554 0.4414 1 2
  O27
O
0.594 0.3697 0.5066 1 2
  O28
O
0.5 0.4595 0.5264 1 2
  O29
O
0.6081 0.25 0.4799 1 2
  O30
O
0.5938 0.4499 0.3965 1 2
  O31
O
0.5 0.3209 0.4643 1 2
  OW1
O
-1.6 -0.5574 0.9273 1 2
  OW2
O
-0.4307 5.4378 0.0436 1 2


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