Database of Zeolite Structures
 
Framework Type -LIT
Powder Diffraction Pattern for Lithosite
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 =
       Calculate UVW such that FWHM =
    FWHM =
       FWHM =
   
Select Output
 
List hkl and intensity
List powder pattern
plot powder pattern
Crystal Data
  Space Group: P 1 21 1   (# 4)   
  Cell parameters: a = 15.197 Å b = 10.233Å c = 8.435 Å
    α = 90° β = 90.31° γ = 90 °
  Chemical Formula |K12|2 [Al16Si32O88OH16]2--LIT
  Refinement: X-ray single crystal, R=0.064
  Reference: Pudovkina, Z.V., Solov'eva, L.P. and Pyatenko, Yu.A.
Sov. Phys. Dokl., 31, 941-942 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.262 0.219 0.435 1 0.62
  Si2
Si
0.259 0.221 0.063 1 0.37
  Si3
Si
0.561 0.192 0.053 1 0.87
  Si4
Si
0.914 0.111 0.559 1 0.81
  Si5
Si
0.243 0.778 0.939 1 0.98
  Si6
Si
0.237 0.777 0.565 1 0.68
  Si7
Si
0.586 0.886 0.439 1 0.78
  Si8
Si
0.94 0.807 0.942 1 0.86
  Al1
Al
0.91 0.11 0.93 1 0.64
  Al2
Al
0.563 0.188 0.443 1 0.83
  Al3
Al
0.936 0.809 0.558 1 0.7
  Al4
Al
0.59 0.891 0.064 1 0.65
  K1
K
0.697 0.054 0.752 1 1.42
  K2
K
0.422 0.046 0.752 1 1.84
  K3
K
0.136 0.064 0.738 1 2.13
  K4
K
0.801 0.947 0.247 1 1.43
  K5
K
0.078 0.938 0.248 1 1.9
  K6
K
0.37 0.944 0.244 1 1.9
  O1
O
0.248 0.188 0.249 1 1.4
  O2
O
0.995 0.219 0.948 1 1.09
  O3
O
0.005 0.721 0.436 1 1.56
  O4
O
0.293 0.101 0.958 1 1.21
  O5
O
0.548 0.027 0.501 1 1.38
  O6
O
0.552 0.039 0.997 1 1.18
  O7
O
0.706 0.597 0.468 1 1.03
  O8
O
0.547 0.218 0.245 1 1.39
  O9
O
0.824 0.153 0.453 1 1.31
  O10
O
0.824 0.153 0.054 1 1.46
  O11
O
0.123 0.598 0.257 1 1.49
  O12
O
0.167 0.272 0.501 1 1.37
  O13
O
0.156 0.245 0.001 1 1.43
  O14
O
0.247 0.821 0.754 1 1.06
  O15
O
0.507 0.781 0.451 1 1.87
  O16
O
0.511 0.773 0.051 1 1.73
  O17
O
0.196 0.908 0.479 1 1.24
  O18
O
0.947 0.961 0 1 1.28
  O19
O
0.946 0.97 0.486 1 0.98
  O20
O
0.204 0.904 0.024 1 1.06
  O21
O
0.048 0.295 0.24 1 1.61
  O22
O
0.69 0.854 0.97 1 1.6
  O23
O
0.665 0.844 0.56 1 1.21
  O24
O
0.624 0.898 0.263 1 1.14
  O25
O
0.663 0.234 0.001 1 1.43
  O26
O
0.331 0.745 0.494 1 1.33