Database of Zeolite Structures
 
Framework Type NAT
Powder Diffraction Pattern for Mesolite
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
Crystal Data
  Space Group: F d d 2   (# 43)   
  Cell parameters: a = 18.4049 Å b = 56.655Å c = 6.5443 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula [Al8Si12O40]-NAT
  Refinement: X-ray single crystal refinement, Rw=0.052
  Reference: Artioli, G., Smith, J.V. and Pluth, J.J.
Acta Crystallogr., C42, 937-942 (1986)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA
Na
0.96736 0.76089 0.63172 1 1.48
  CA
Ca
0.22807 0.82737 0.88068 1 0.91
  SI1
Si
0.75 0.75 0 1 0.55
  SI2
Si
0.15499 0.76432 0.8721 1 0.48
  SI3
Si
0.90188 0.81979 0.6504 1 0.5
  SI4
Si
0.08794 0.84688 0.65213 1 0.52
  SI5
Si
0.00435 0.8318 0.2774 1 0.53
  AL1
Al
0.78689 0.78025 0.6131 1 0.5
  AL2
Al
0.0363 0.80211 0.89287 1 0.52
  AL3
Al
0.95155 0.86233 0.89294 1 0.51
  O1
O
0.76818 0.77289 0.86482 1 1.03
  O2
O
0.02298 0.808 0.15228 1 0.98
  O3
O
0.98498 0.85319 0.12809 1 1.18
  O4
O
0.82365 0.80837 0.59682 1 0.7
  O5
O
0.07262 0.77385 0.86425 1 0.72
  O6
O
0.16644 0.85935 0.67096 1 0.83
  O7
O
0.84335 0.75866 0.51529 1 1
  O8
O
0.09631 0.82339 0.79447 1 0.93
  O9
O
0.88933 0.84183 0.80185 1 0.98
  O10
O
0.95568 0.80062 0.75319 1 1.06
  O11
O
0.20947 0.78462 0.9595 1 0.86
  O12
O
0.02193 0.86358 0.71805 1 1
  O13
O
0.93735 0.82799 0.43383 1 1.09
  O14
O
0.1802 0.75695 0.64166 1 1.06
  O15
O
0.07638 0.83892 0.41273 1 0.99
  H11
H
0.045 0.7813 0.322 1 0.7
  H12
H
0.0881 0.7679 0.42 1 0.9
  H21
H
0.7773 0.8037 0.018 1 1
  H22
H
0.8085 0.8232 0.004 1 2.7
  H31
H
0.2274 0.856 0.247 1 2.1
  H32
H
0.1685 0.8438 0.26 1 1.2
  H41
H
0.8072 0.8702 0.387 1 0.6
  H42
H
0.8615 0.8525 0.359 1 2
  O21
O
0.05347 0.76839 0.37684 1 1.67
  O22
O
0.78167 0.81598 0.07685 1 2.83
  O23
O
0.20069 0.8482 0.18338 1 2.46
  O24
O
0.81793 0.85687 0.36556 1 2.05


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