Database of Zeolite Structures
 
Framework Type SBN
Powder Diffraction Pattern for UCSB-9
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 n n a   (# 52)   
  Cell parameters: a = 12.4987 Å b = 14.3155Å c = 7.3751 Å
    α = 90° β = 90° γ = 90 °
  Chemical Formula |(MAH+)4|2 [Ga4Ge6O20]2-SBN
MAH+ = CH6N+ = methylammonium ion = methylazanium
SMILES: C[NH3+]   Images:  stick or 3D
  Refinement: X-ray single crystal refinement, R(F) = 0.0359, R(wF2) = 0.0796
  Reference: Bu, X.H., Feng, P.Y. and Stucky, G.D.
J. Am. Chem. Soc., 120, 11204-11205 (1998)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  Ga1
Ga
0.8394 0.2251 0.0446 1 1.18
  Ge1
Ge
0.0542 0.25 0.25 1 1.34
  Ge2
Ge
0.252 0.3842 0.2045 1 1.34
  O1
O
0.7694 0.25 0.25 1 2.29
  O2
O
0.9723 0.1876 0.0956 1 1.82
  O3
O
0.132 0.3298 0.1258 1 2.13
  O4
O
0.8583 0.3267 0.9134 1 2.05
  O5
O
0.25 0.5 0.1348 1 3.71
  O6
O
0.7689 0.133 0.9418 1 2.13
  C1
C
0.5794 0.4714 0.2571 1 6.16
  N1
N
0.5709 0.3689 0.2558 1 5.76


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