Database of Zeolite Structures
 
Framework Type JOZ
Powder Diffraction Pattern for LSJ-10
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 n m a   (# 62)   
  Cell parameters: a = 12.7069 Å b = 13.2309Å c = 13.9362 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |K7 (TEA+)|2 [Si16Be4O40]2-JOZ
TEA+ = C8H20N+ = tetraethylammonium ion
= tetraethylazanium
SMILES: CC[N+](CC)(CC)CC
;Images:  stick or 
  Refinement: X-ray single crystal refinement, R(F) = 0.0673, R(wF2) = 0.1015
  Reference: Armstrong, J.A. and Weller, M.T.
J. Am. Chem. Soc., 132, 15679-15686 (2010)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  O1
O
0.7119 0.0931 0.4982 1 1.579
  O2
O
0.5165 0.1006 0.4299 1 1.816
  O3
O
0.5503 0.0851 0.6206 1 2.842
  O4
O
0.595 0.25 0.5309 1 4.658
  O5
O
0.8478 0.0398 0.8683 1 1.973
  O6
O
0.5171 0.0476 0.2496 1 2.131
  O7
O
1.0192 0.1263 0.415 1 1.973
  O8
O
0.8366 0.0517 0.3491 1 1.658
  O9
O
0.5819 0.25 0.9499 1 1.579
  O10
O
0.8035 -0.0865 0.4885 1 1.973
  O11
O
0.5074 0.0738 0.9002 1 1.973
  Si1
Si
0.5937 0.1296 0.5196 1 1.95
  Si2
Si
0.9629 0.035 0.3547 1 2.092
  Si3
Si
0.578 0.1325 0.9829 1 2.139
  Si4
Si
0.4664 -0.0022 0.6418 1 2.289
  Be5
Be
0.7509 0.0055 0.4266 1 0
  H2O2
O2-(H2O)
0.756 0.2 0.724 0.25 3.947
  H2O3
O2-(H2O)
0.41 0.25 0.343 0.46 3.947
  K1
K
0.5508 0.25 0.7506 0.91 7.027
  K2
K
0.7618 -0.0053 0.6744 1 10.02
  K3
K
0.3379 0.25 0.5601 1 14.6
  N
N
0.758 0.202 0.27 0.42 3.95
  C1
C
0.81 0.25 0.346 0.15 3.95
  C2
C
0.838 0.25 0.219 0.41 3.95
  C3
C
0.66 0.25 0.263 0.36 3.95
  C4
C
0.836 0.205 0.084 0.33 3.95
  C5
C
0.8382 0.25 0.4641 1 3.95
  C6
C
0.5514 0.25 0.2584 1 3.95


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