Database of Zeolite Structures
 
Framework Type SAT
Powder Diffraction Pattern for STA-2
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: R -3   (# 166)   Setting H
  Cell parameters: a = 12.726 Å b = 12.726Å c = 30.939 Å
    α = 90° β = 90° γ = 120 °
  Refinement: X-ray single crystal refinement at 200 K. RF = 0.0757
  Comment: hexagonal setting
  Reference: Noble, G.W., Wright, P.A. and Kvick, A.
J. Chem. Soc., Dalton Trans., , 4485-4490 (1997)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
   
  Al1
Al
0.7533 0.7572 0.2954 1 1.3
  Al2
Al
0.5762 0.9023 0.2165 1 1.71
  P1
P
0.5778 0.9043 0.1144 1 1.53
  P2
P
0.7568 1.0013 0.2914 1 1.08
  O1
O
0.6138 0.9393 0.1617 1 2.75
  O2
O
0.5341 0.7532 0.2251 1 2.76
  O3
O
0.7928 0.9072 0.2939 1 3.05
  O4
O
0.4612 0.928 0.231 1 2.81
  O5
O
0.7014 0.9959 0.2472 1 2.66
  O6
O
0.8644 1.1224 0.2968 1 2.75
  O7
O
0.6689 0.9831 0.3267 1 3.64
  O8
O
0.6563 0.0092 0.0856 1 2.7
  N1
N
0 0 0.1025 1 5.43
  C1
C
0 0 0.1842 1 7.76
  C2
C
-0.0415 0.0827 0.1662 1 10.66
  C3
C
-0.0415 0.0787 0.1177 1 11.13
  C4
C
-0.0312 0.0351 0.0556 1 17.02
  C5
C
0 0 0.0241 1 14.9
  H1
H
0 0 0.2147 1 0
  H2
H
0.0103 0.1631 0.1757 1 0
  H3
H
-0.1222 0.0567 0.1762 1 0
  H4
H
0.009 0.158 0.1069 1 0
  H5
H
-0.1226 0.0498 0.0498 1 0
  H6
H
0.0075 0.1208 0.054 1 0
  H7
H
-0.1164 0.0017 0.054 1 0
  H8
H
0.0851 0.0322 0.0249 1 0
  H9
H
-0.0211 0.0263 -0.0015 1 0