Database of Zeolite Structures
 
Framework Type RHO
Powder Diffraction Pattern for Rho, Hydrated
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: I m -3 m   (# 229)   
  Cell parameters: a = 15.031 Å b = 15.031Å c = 15.031 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(Na,Cs)12 (H2O)44| [Al12Si36O96]-RHO
  Refinement: X-ray Rietveld refinement, Rwp=0.18, RF=0.134
  Reference: McCusker, L.B. and Baerlocher, Ch.
Proc. 6th Int. Zeolite Conf., , pp. 812-822 (1984)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  NA1
Na
0.2768 0.2768 0.2768 0.18 6.3
  CS1
Cs
0 0 0.3554 0.26 0.3
  SI1
Si
0.25 0.1042 0.3958 0.749 3.2
  AL1
Al
0.25 0.1042 0.3958 0.251 3.2
  O1
O
0.2107 0 0.3834 1 5.6
  O2
O
0.1652 0.1652 0.3654 1 5.6
  H2O1
O2-(H2O)
0.0749 0.2096 0.2096 0.204 5.5
  H2O2
O2-(H2O)
0.0542 0.0542 0.2756 0.504 15
  H2O3
O2-(H2O)
0.0636 0.118 0.1735 0.305 15
  H2O4
O2-(H2O)
0 0 0.4295 0.717 15
  H2O5
O2-(H2O)
0 0 0 0.7 15


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