Database of Zeolite Structures
 
Framework Type MON
Powder Diffraction Pattern for Montesommaite
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 41/a m d   (# 141)   
  Cell parameters: a = 7.141 Å b = 7.141Å c = 17.307 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(K,Na)4.5 (H2O)5 | [Al4.5Si11.5O32]-MON
  Refinement: X-ray powder refinement of idealized substructure, R=0.10
  Comment: second origin choice in IT
  Reference: Rouse, R.C., Dunn, P.J., Grice, J.D., Schlenker, J.L. and Higgins, J.B.
Am. Mineral., 75, 1415-1420 (1990)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  K1
K
0 0 0.5 0.53 1.97
  SI
Si
0 0.463 0.09 0.706 0.39
  AL
Al
0 0.463 0.09 0.294 0.39
  O1
O
0 0.25 0.116 1 1.18
  O2
O
0.186 0.436 0.875 1 1.18
  O3
O
0 0 0 1 1.18
  H2O1
O2-(H2O)
0 0.25 0.342 0.5 1.18