Database of Zeolite Structures
 
Framework Type BSV
Powder Diffraction Pattern for *UCSB-7
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: I a -3 d   (# 230)   
  Cell parameters: a = 18.5356 Å b = 18.5356Å c = 18.5356 Å
    α = 90° β = 90° γ = 90 °
  Refinement: X-ray single crystal refinement, R(F) = 0.0399, R(wF2) = 0.0680
  Reference: Bu, X., Feng, P., Gier, T.E., Zhao, D. and Stucky, G.D.
J. Am. Chem. Soc., 120, 13389-13397 (1998)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Ge
Ge
0.2571 0.3484 0.1135 0.75 0.95
  Ga
Ga
0.2571 0.3484 0.1135 0.25 0.95
  O1
O
0.1768 0.3347 0.063 1 1.5
  O2
O
0.2996 0.2629 0.1174 1 1.66
  C1
C
0.2032 0.125 0.0468 1 7.5
  N1
N
0.25 0.079 0 0.5 8.68