Database of Zeolite Structures
 
Framework Type EMT
Powder Diffraction Pattern for EMC-2, Calcined
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 63/m m c   (# 194)   
  Cell parameters: a = 17.3864 Å b = 17.3864Å c = 28.3459 Å
    α = 90° β = 90° γ = 120 °
  Chemical Formula |Na20 (H2O)6| [Si76Al20O192]-EMT
  Refinement: X-ray Rietveld refinement, Rexp=0.181, Rwp=0.206, RF=0.074
  Reference: Baerlocher, Ch., McCusker, L.B. and Chiappetta, R.
Microporous Materials, 2, 269-280 (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Na2
Na
0.589 0.177 0.047 0.25 2.527
  Na3
Na
0.66667 0.33333 0.627 0.325 2.527
  Na4
Na
0.3571 0.179 0.388 0.333 2.527
  Si1
Si
0.3734 0.0962 0.0167 0.792 0.869
  Si2
Si
0.4275 0.034 0.1069 0.792 0.869
  Si3
Si
0.4874 0.1546 -0.073 0.792 0.869
  Si4
Si
0.4867 0.1521 0.1961 0.792 0.869
  Al1
Al
0.3734 0.0962 0.0167 0.208 0.869
  Al2
Al
0.4275 0.034 0.1069 0.208 0.869
  Al3
Al
0.4874 0.1546 -0.073 0.208 0.869
  Al4
Al
0.4867 0.1521 0.1961 0.208 0.869
  O1
O
0.457 0.13 -0.0187 1 1.5
  O2
O
0.292 0 0 1 1.5
  O3
O
0.34 0.17 0.018 1 1.5
  O4
O
0.403 0.093 0.0713 1 1.5
  O5
O
0.425 0.069 0.1601 1 1.5
  O6
O
0.356 -0.072 0.1103 1 1.5
  O7
O
0.528 0.056 0.094 1 1.5
  O8
O
0.478 0.239 -0.092 1 1.5
  O9
O
0.594 0.188 -0.074 1 1.5
  O10
O
0.472 0.236 0.181 1 1.5
  O11
O
0.591 0.1818 0.187 1 1.5
  O12
O
0.453 0.117 0.25 1 1.5
  H2O1
O2-(H2O)
0.709 0.291 0.08 0.5 2.527