Database of Zeolite Structures
 
Framework Type LTL
Powder Diffraction Pattern for Perlialite
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 6/m m m   (# 191)   
  Cell parameters: a = 18.5432 Å b = 18.5432Å c = 7.531 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula [Al12Si24O72]-LTL
  Refinement: X-ray powder refinement, Rwp=0.20, Rp=0.17
  Reference: Artioli, G. and Kvick, Å.
Eur. J. Mineral., 2, 749-759 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  K1
K
0.33 0.66 0 0.18 5.53
  K2
K
0.33 0.66 0.5 0.38 1.18
  K21
K
0.33 0.66 0.427 0.31 1.18
  K3
K
0.297 0 0 0.517 3.63
  Tl3
Tl
0.315 0 0 0.483 3.63
  K4
K
0.5 0 0.5 0.699 3.24
  Tl4
Tl
0.5 0 0.5 0.301 3.24
  Si1
Si
0.0924 0.3546 0.5 0.667 2.53
  Si2
Si
0.1672 0.4975 0.215 0.667 4.9
  Al1
Al
0.0924 0.3546 0.5 0.333 2.53
  Al2
Al
0.1672 0.4975 0.215 0.333 4.9
  O1
O
0 0.272 0.5 1 0.79
  O2
O
0.158 0.316 0.5 1 4.74
  O3
O
0.26 0.52 0.288 1 5.53
  O4
O
0.1038 0.4125 0.326 1 1.82
  O5
O
0.4092 0.818 0.213 1 4.74
  O6
O
0.156 0.483 0 1 1.18
  H2O1
O2-(H2O)
0.11 0 0 0.4 7.11
  H2O2
O2-(H2O)
0.134 0 0.37 0.91 7.11
  H2O3
O2-(H2O)
0.28 0.14 0 0.25 2.37
  H2O4
O2-(H2O)
0.28 0.14 0.26 0.19 7.9
  H2O5
O2-(H2O)
0 0 0.172 0.7 7.9
  H2O6
O2-(H2O)
0.56 0.28 0 0.66 7.9


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