Database of Zeolite Structures
 
Framework Type ANA
Powder Diffraction Pattern for Analcime
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: I a -3 d   (# 230)   
  Cell parameters: a = 13.73 Å b = 13.73Å c = 13.73 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, R=0.04
  Reference: Ferraris, G., Jones, D.W. and Yerkess, J.
Z. Kristallogr., 135, 240-252 (1972)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.125 0 0.25 0.6667 0.32
  SI1
Si
0.66208 -0.41208 0.125 0.6667 0.14
  AL1
Al
0.66208 -0.41208 0.125 0.3333 0.14
  O1
O
0.10428 0.1344 0.71932 1 0.29
  H1
H
0.0791 0.0791 0.0791 0.25 1.05
  H2
H
0.1402 0.1006 0.0548 0.25 0.83
  O2
O
0.125 0.125 0.125 1 0.69