Database of Zeolite Structures
 
Framework Type LAU
Powder Diffraction Pattern for Laumontite
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: C 1 2/m 1   (# 12)   
  Cell parameters: a = 14.8538 Å b = 13.1695Å c = 7.5421 Å
    α = 90° β = 110.323° γ = 90 °
  Chemical Formula [Al8Si16O48]-LAU
  Refinement: X-ray Rietveld refinement, Rwp=0.115, Rp=0.090, RF2=0.046
  Comment: unique axis b, cell choice 1
  Reference: Artioli, G. and Ståhl, K.
Zeolites, 17, 249-255 (1993)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  CA
Ca
0.2601 0.5 0.737 1 3.4
  SI1
Si
0.2368 0.3838 0.156 1 1.89
  SI2
Si
0.0763 0.3834 0.325 1 2.13
  AL1
Al
0.1315 0.308 0.737 1 2.61
  O1
O
0.26 0.5 0.219 1 0.79
  O2
O
0.2084 0.3744 0.919 1 1.66
  O3
O
0.1384 0.3838 0.552 1 0.55
  O4
O
0.146 0.3454 0.203 1 2.92
  O5
O
0.3205 0.3185 0.248 1 0.79
  O6
O
0.043 0.5 0.267 1 0.71
  O7
O
0.013 0.3083 0.743 1 2.53
  H2O1
O2-(H2O)
0.029 0.171 0 0.5 2.45
  H2O2
O2-(H2O)
0.401 0.5 0.026 1 5.92
  H2O5
O2-(H2O)
0.5 0.467 0.5 0.5 3.16
  H2O8
O2-(H2O)
0.1426 0.129 0.332 1 4.03