Database of Zeolite Structures
 
Framework Type LTJ
Powder Diffraction Pattern for Linde Type J
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 21 21 21   (# 19)   
  Cell parameters: a = 9.6312 Å b = 9.6413Å c = 10.022 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |X8(H2O)4| [Si8Al8O32]-LTJ
  Refinement: X-ray (synchrotron) Rietveld refinement, Rwp=0.0641, Rp=0.0572,Rexp=0.0318
  Reference: Broach, R.W. and Kirchner, R.M.
Microporous Mesoporous Mat., 143, 398-400 (2011)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.6398 0.4261 0.2798 1 1.09
  Si2
Si
0.8468 0.1139 0.0237 1 1.09
  Al1
Al
0.3629 0.5941 0.2311 1 1.09
  Al2
Al
0.6728 0.3934 0.9751 1 1.09
  O1
O
0.2709 0.2688 0.0544 1 1.67
  O2
O
0.4966 0.3548 0.9336 1 1.67
  O3
O
0.2747 0.4247 0.8503 1 1.67
  O4
O
0.2721 0.0335 0.6171 1 1.67
  O5
O
0.7078 0.4491 0.1381 1 1.67
  O6
O
0.4823 0.0212 0.195 1 1.67
  O7
O
0.5949 0.2689 0.2989 1 1.67
  O8
O
0.6699 0.0216 0.4336 1 1.67
  OW1
O
0.4887 0.2295 0.5918 1 4.1
  N1
N
0.4769 0.5299 0.6376 1 3.24
  H11
H
0.555 0.583 0.666 1 4.9
  H12
H
0.416 0.586 0.586 1 4.9
  H13
H
0.508 0.454 0.585 1 4.9
  H14
H
0.428 0.496 0.714 1 4.9
  N2
N
0.8021 0.2375 0.6543 1 2.29
  H21
H
0.821 0.274 0.741 1 3.4
  H22
H
0.86 0.282 0.59 1 3.4
  H23
H
0.82 0.14 0.654 1 3.4
  H24
H
0.707 0.253 0.632 1 3.4


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