Database of Zeolite Structures
 
Framework Type EDI
Powder Diffraction Pattern for Na-exchanged K-F
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: P -4 21 m   (# 115)   
  Cell parameters: a = 10.056 Å b = 10.056Å c = 6.68 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray powder refinement, RI=0.17
  Reference: Baerlocher, Ch. and Barrer, R.M.
Z. Kristallogr., 140, 10-26 (1974)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  NA1
Na
0.242 0.258 -0.059 0.78 1.9
  NA21
Na
-0.101 0.399 0.324 0.92 2.6
  NA22
Na
0 0.5 0.325 0.6 0.4
  SI1
Si
0 0 0 0.5 4.5
  SI2
Si
0.127 0.134 0.375 0.5 1
  AL1
Al
0 0 0 0.5 4.5
  AL2
Al
0.127 0.134 0.375 0.5 1
  O1
O
0.099 0.093 0.133 1 2.7
  O2
O
-0.018 0.184 0.466 1 3.7
  O3
O
0.24 0.26 0.389 1 0.9
  H2O4
O2-(H2O)
0.147 0.353 -0.272 0.5 1.7
  H2O5
O2-(H2O)
0.112 0.387 -0.054 0.52 1.8
  H2O6
O2-(H2O)
0 0.5 -0.181 0.36 1.8