Database of Zeolite Structures
 
Framework Type MEP
Powder Diffraction Pattern for Melanophlogite
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: P m -3 n   (# 223)   
  Cell parameters: a = 13.436 Å b = 13.436Å c = 13.436 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(CH4,N2,CO2)x| [Si46O92]-MEP
CH4 = CH4 = methane
SMILES: C   Images:  3D
  Refinement: X-ray single crystal refinement, Rw=0.04
  Reference: Gies, H.
Z. Kristallogr., 164, 247-257 (1983)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  SI1
Si
0 0.3098 0.1142 1 1.71
  SI2
Si
0.1826 0.1826 0.1826 1 1.72
  SI3
Si
0.25 0 0.5 1 1.43
  O1
O
0.0963 0.2465 0.136 1 4.88
  O2
O
0 0.4056 0.1813 1 4.78
  O3
O
0.3423 0 0 1 2.76
  O4
O
0.25 0.25 0.25 1 5.81
  C1
C
0.25 0.5 0 1 39.37
  C2
C
0 0 0 1 13.74


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