Database of Zeolite Structures
 
Framework Type MVY
Powder Diffraction Pattern for MCM-70
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 m n 21   (# 31)   
  Cell parameters: a = 13.3167 Å b = 4.6604Å c = 8.7 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |K2(H2O)2| [Si10B2O24]-MVY
  Refinement:
  Reference: Xie, D., McCusker, L.B., Barlocher, Ch., Gibson, L., Burton, A.W. and Hwang, S.-J.
J. Phys. Chem. C, 113, 9845-9850 (2009)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Si1
Si
0.2051 0.6366 0.3318 1 1.11
  Si2
Si
0.2977 0.1346 0.1726 1 1.11
  Si3
Si
0.5 0.5817 -0.084 1 1.11
  B4
B
0 0.918 0.603 1 1.11
  O1
O
0.0944 0.512 0.315 1 0.71
  O2
O
0.2135 0.896 0.208 1 0.71
  O3
O
0.5 0.923 -0.043 1 0.71
  O4
O
0.2886 0.407 0.294 1 0.71
  O5
O
0.2733 0.251 0 1 0.71
  O6
O
0.4101 0.007 0.194 1 0.71
  O7
O
0.5 0.402 0.07 1 0.71
  K1
K
0 0.477 -0.107 0.58 4.26
  K2
K
0 0.045 0.112 0.42 4.26
  Ow2
O
0 0.477 -0.107 0.42 4.26
  Ow1
O
0 0.045 0.112 0.58 4.26