Database of Zeolite Structures
 
Framework Type LTA
Powder Diffraction Pattern for Linde Type A, Dehydrated
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

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Crystal Data
  Space Group: F m -3 c   (# 226)   
  Cell parameters: a = 24.555 Å b = 24.555Å c = 24.555 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al12Si12O48]8-LTA
  Refinement: X-ray single crystal refinement, Rw=0.023
  Reference: Pluth, J.J. and Smith, J.V.
J. Am. Chem. Soc., 102, 4704-4708 (1980)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA1
Na
0.0996 0.0996 0.0996 0.972 3.79
  NA2
Na
0 0.2165 0.2111 0.242 6.35
  NA3
Na
0.25 0.106 0.106 0.066 4.34
  SI1
Si
0 0.09316 0.18499 1 1.89
  AL1
Al
0 0.18715 0.09042 1 1.98
  O1
O
0 0.11367 0.24663 1 3.17
  O2
O
0 0.14459 0.14591 1 3.68
  O3
O
0.05379 0.05865 0.17152 1 2.98


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