Database of Zeolite Structures
 
Framework Type GME
Powder Diffraction Pattern for Gmelinite
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 = 13.75 Å b = 13.75Å c = 10.05 Å
    α = 90° β = 90° γ = 120 °
  Refinement: X-ray single crystal refinement, R=0.17
  Reference: Fischer, K.
N. Jb. Miner. Mh., , 1-13 (1966)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  CA
Ca
0.3333 0.6667 0.073 1 6
  SI1
Si
0.441 0.106 0.093 0.6667 0.9
  AL1
Al
0.441 0.106 0.093 0.3333 0.9
  O1
O
-0.202 -0.404 0.063 1 2
  O2
O
0.575 0.15 0.064 1 2.3
  O3
O
0.411 0.067 0.25 1 2.3
  O4
O
0.354 0 0 1 2.3
  H2O1
O2-(H2O)
0.2 0.54 0.25 0.25 3.5
  H2O2
O2-(H2O)
0.22 0.44 0.99 0.5 9
  H2O3
O2-(H2O)
0.43 0.86 0.97 0.5 9
  H2O4
O2-(H2O)
0.17 0.34 0.25 0.5 5
  H2O5
O2-(H2O)
0.08 0.16 0.89 0.5 4
  H2O6
O2-(H2O)
0.1 0.2 0.06 0.2 6.5