Database of Zeolite Structures
 
Framework Type ABW
Powder Diffraction Pattern for Li-ABW
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 n a 21   (# 74)   
  Cell parameters: a = 10.313 Å b = 8.194Å c = 4.993 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, Rw=0.081
  Reference: Krogh Andersen, E. and Ploug-Sørensen, G.
Z. Kristallogr., 176, 67-73 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Li
Li
0.1862 0.6849 0.252 1 1.57
  Si
Si
0.3544 0.3757 0.2492 1 0.44
  Al
Al
0.1593 0.081 0.25 1 0.4
  O1
O
0.0061 0.1584 0.197 1 0.75
  O2
O
0.2736 0.2198 0.1391 1 0.97
  O3
O
0.1912 0.0399 0.5907 1 0.76
  O4
O
0.1804 -0.1008 0.0689 1 0.68
  H1
H
0.5497 0.1798 0.8651 1 4
  H2
H
0.4965 0.0587 0.5773 1 4.2
  O5
O
0.4891 0.0903 -0.2395 1 2.93