Database of Zeolite Structures
 
Framework Type MSE
Powder Diffraction Pattern for MCM-68
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 42/m n m   (# 136)   
  Cell parameters: a = 18.286 Å b = 18.286Å c = 20.208 Å
    α = 90° β = 90° γ = 90 °
  Refinement:
  Reference: Dorset, D.L., Weston, S.C. and Dhingra, S.S.
J. Phys. Chem. B, 110, 2045-2050 (2006)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.1298 0.7543 0.11 1 1.018455
  Si2
Si
0.1322 0.7487 0.2685 1 1.018455
  Si3
Si
0.0306 0.2148 0.074 1 1.018455
  Si4
Si
0.13 0.253 0.1859 1 1.018455
  Si5
Si
0.0294 0.2174 0.3124 1 1.018455
  Si6
Si
0.0622 0.0622 0.1402 1 1.018455
  Si7
Si
0.0622 0.0622 0.2856 1 1.018455
  Si8
Si
0.1331 0.254 0.4269 1 1.018455
  O1
O
0.1199 0.7447 0.1892 1 1.634265
  O2
O
0.0512 0.7521 0.0735 1 1.634265
  O3
O
0.1801 0.6884 0.0823 1 1.634265
  O4
O
0.168 0.832 0.0944 1 1.634265
  O5
O
0.0532 0.753 0.3043 1 1.634265
  O6
O
0.1746 0.6762 0.2935 1 1.634265
  O7
O
0.1794 0.8206 0.2869 1 1.634265
  O8
O
0.0815 0.2659 0.1202 1 1.634265
  O9
O
0.0641 0.2161 0 1 1.634265
  O10
O
0.0293 0.1317 0.1009 1 1.634265
  O11
O
0.187 0.187 0.1732 1 1.634265
  O12
O
0.0751 0.231 0.2452 1 1.634265
  O13
O
0.0283 0.1303 0.3264 1 1.634265
  O14
O
0.0691 0.2597 0.3727 1 1.634265
  O15
O
0 0 0.1464 1 1.634265
  O16
O
0.0886 0.0886 0.213 1 1.634265
  O17
O
0 0 0.2785 1 1.634265
  O18
O
0.1919 0.1919 0.4079 1 1.634265
  O19
O
0.1007 0.2412 0.5 1 1.634265