Database of Zeolite Structures
 
Framework Type LTA
Powder Diffraction Pattern for Linde Type A, Hydrated
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: F m -3 c   (# 226)   
  Cell parameters: a = 24.61 Å b = 24.61Å c = 24.61 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |Na12 (H2O)278 |8 [Al12Si12O48]8-LTA
  Refinement: X-ray single crystal refinement, Rw=0.04
  Reference: Gramlich, V. and Meier, W.M.
Z. Kristallogr., 133, 134-149 (1971)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.1064 0.1064 0.1064 1 7.74
  SI1
Si
0 0.0929 0.1844 1 1.16
  AL1
Al
0 0.1864 0.0902 1 1
  O1
O
0 0.1116 0.2473 1 2.55
  O2
O
0 0.1463 0.1476 1 2.08
  O3
O
0.0538 0.0583 0.1704 1 2.45
  O4
O
0.02 0.03 0.064 0.115 25
  O5
O
0.03 0.02 0.064 0.115 25
  O6
O
0.1598 0.1598 0.1598 0.91 18.16
  O7
O
0.1155 0.167 0.262 0.325 33.43
  O8
O
0.167 0.1155 0.262 0.325 33.43
  O9
O
0.041 0.21 0.235 0.22 34.74
  O10
O
0.21 0.041 0.235 0.22 34.74
  O11
O
0.25 0.25 0.25 1.88 61.59