Database of Zeolite Structures
 
Framework Type NAT
Powder Diffraction Pattern for Natrolite
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 d d 2   (# 141)   
  Cell parameters: a = 18.3 Å b = 18.63Å c = 6.6 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, Rwp=0.08
  Reference: Meier, W.M.
Z. Kristallogr., 113, 430-444 (1960)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.2208 0.0305 0.612 1 2
  SI1
Si
0 0 0 1 1.07
  SI2
Si
0.1532 0.2112 0.6181 1 1
  AL1
Al
0.0376 0.0936 0.6119 1 1.12
  O1
O
0.0227 0.0683 0.8594 1 1.81
  O2
O
0.0704 0.1824 0.6011 1 1.1
  O3
O
0.0986 0.0346 0.4997 1 1.55
  O4
O
0.2063 0.1526 0.7166 1 1.24
  O5
O
0.1799 0.2272 0.386 1 1.83
  H2O1
O2-(H2O)
0.0564 0.1893 0.1085 1 2.5