Database of Zeolite Structures
 
Framework Type *BEA
Powder Diffraction Pattern for Beta polymorph B, SiO2 Framework
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: C 1 2/c 1   (# 15)   
  Cell parameters: a = 17.89654 Å b = 17.92002Å c = 14.32815 Å
    α = 90° β = 114.803° γ = 90 °
  Chemical Formula [[Al - Si - O]]-*BEA
  Refinement: DLS refinement
  Comment: unique axis b, cell choice 1
  Reference: Newsam, J.M., Treacy, M.M.J., Koetsier, W.T. and de Gruyter, C.B.
Proc. R. Soc. Lond. A, 420, 375-405 (1988)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Si1
Si
0.60607 -0.02206 0.38112 1 0
  Si2
Si
0.48332 -0.14331 0.3793 1 0
  Si3
Si
0.79947 -0.21324 0.38677 1 0
  Si4
Si
0.67495 -0.3375 0.38698 1 0
  Si5
Si
0.91268 -0.33092 0.38275 1 0
  Si6
Si
0.79042 -0.45237 0.38137 1 0
  Si7
Si
0.5 0.11084 0.25 1 0
  Si8
Si
0.69528 -0.08286 0.25183 1 0
  Si9
Si
0.5 -0.27723 0.25 1 0
  O10
O
0.53355 -0.08379 0.34288 1 0
  O11
O
0.6481 -0.01901 0.5053 1 0
  O12
O
0.5679 0.05877 0.33609 1 0
  O13
O
0.67468 -0.0442 0.34022 1 0
  O20
O
0.52172 -0.14542 0.50343 1 0
  O21
O
0.38767 -0.11893 0.33454 1 0
  O22
O
0.49034 -0.22518 0.33637 1 0
  O30
O
0.73217 -0.27927 0.36034 1 0
  O31
O
0.88292 -0.24602 0.38479 1 0
  O32
O
0.76334 -0.14756 0.30231 1 0
  O33
O
0.81946 -0.18012 0.49966 1 0
  O40
O
0.70644 -0.42162 0.384 1 0
  O41
O
0.58064 -0.32929 0.30322 1 0
  O51
O
0.83406 -0.38605 0.34599 1 0
  O52
O
0.95542 -0.33707 0.3036 1 0
  O60
O
0.76924 -0.52075 0.30078 1 0


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