Database of Zeolite Structures
 
Framework Type KFI
Powder Diffraction Pattern for (Cs,K) ZK5, Dehydrated
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 m -3 m   (# 229)   
  Cell parameters: a = 18.671 Å b = 18.671Å c = 18.671 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray Rietveld refinement, Rwp=0.09
  Reference: Parise, J.B., Shannon, R.D., Prince, E. and Cox, D.E.
Z. Kristallogr., 165, 175-190 (1983)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  K1
K
0 0.25 0.5 0.78 3.9
  K2
K
0.15 0.15 0.15 0.22 3.9
  CS
Cs
0 0 0.314 0.81 4.7
  SI1
Si
0.0825 0.2023 0.3211 0.76 1.1
  AL1
Al
0.0825 0.2023 0.3211 0.24 1.1
  O1
O
0.128 0.128 0.3145 1 2
  O2
O
0.2522 0.2522 0.4081 1 1.3
  O3
O
0 0.1783 0.3369 1 1.7
  O4
O
0.25 0.1085 0.3915 1 1.7