Database of Zeolite Structures
 
Framework Type *BEA
Powder Diffraction Pattern for Beta polymorph A, 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: P 41 2 2   (# 91)   
  Cell parameters: a = 12.66139 Å b = 12.66139Å c = 26.40612 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |Na7 | [Al7Si57O128]-*BEA
  Refinement: DLS refinement.
  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
0.33694 0.79277 0.05619 1 0
  SI2
Si
0.33711 0.54031 0.05606 1 0
  SI3
Si
0.71647 0.793 0.05872 1 0
  SI4
Si
0.71656 0.54076 0.05884 1 0
  SI5
Si
0.95425 0.79364 0.05555 1 0
  SI6
Si
0.95434 0.5404 0.05556 1 0
  SI7
Si
0.14278 0.85722 0.125 1 0
  SI8
Si
0.52836 0.85702 0.12552 1 0
  SI9
Si
0.52842 0.47158 0.125 1 0
  O10
O
0.33623 0.66652 0.06515 1 0
  O11
O
0.33454 0.81732 -0.00385 1 0
  O12
O
0.23433 0.84457 0.08279 1 0
  O13
O
0.44268 0.84276 0.08069 1 0
  O20
O
0.33456 0.51612 -0.00402 1 0
  O21
O
0.23464 0.48822 0.08264 1 0
  O22
O
0.44301 0.49038 0.08043 1 0
  O30
O
0.71891 0.6669 0.06809 1 0
  O31
O
0.83544 0.83902 0.06074 1 0
  O32
O
0.64609 0.84874 0.10222 1 0
  O40
O
0.83559 0.4949 0.06084 1 0
  O41
O
0.64627 0.48518 0.10242 1 0
  O50
O
1 0.82149 0 1 0
  O51
O
0.95304 0.66702 0.06321 1 0
  O52
O
1.02844 0.84708 0.09824 1 0
  O60
O
1 0.51256 0 1 0
  O61
O
1.02874 0.48708 0.09821 1 0


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