Database of Zeolite Structures
 
Framework Type LAU
Powder Diffraction Pattern for Cobalt Gallophosphate
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

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Crystal Data
  Space Group: C 1 2/c 1   (# 15)   
  Cell parameters: a = 15.058 Å b = 13.197Å c = 15.273 Å
    α = 90° β = 112.2° γ = 90 °
  Chemical Formula [Co4Ga8P12O48]-LAU
  Refinement: X-ray single crystal refinement, Rw=0.065
  Comment: unique axis b, cell choice 1
  Reference: Chippindale, A.M. and Walton, R.I.
Chem. Commun., , 2453-2454 (1994)
  Atomic Coordinates:          
   
Atom
Form Factor
x
y
z
PP
B(iso)
    
  GA1
Ga
0.56738 0.10568 0.65382 0.6667 2.07
  CO1
Co
0.56738 0.10568 0.65382 0.3333 2.07
  GA2
Ga
0.73158 -0.12692 0.5773 0.6667 2.04
  CO2
Co
0.73158 -0.12692 0.5773 0.3333 2.04
  GA3
Ga
0.63532 0.19004 0.36767 0.6667 2.1
  CO3
Co
0.63532 0.19004 0.36767 0.3333 2.1
  P1
P
0.5716 -0.1306 0.6573 1 2.17
  P2
P
0.7317 0.1144 0.5759 1 2.1
  P3
P
0.6368 0.1869 0.8647 1 2.2
  O1
O
0.627 -0.1711 0.6002 1 3.61
  O2
O
0.7156 0.1423 0.9528 1 2.53
  O3
O
0.5295 -0.0264 0.6227 1 3.46
  O4
O
0.7126 0.1169 0.4706 1 3.28
  O5
O
0.7572 0.0068 0.6151 1 2.48
  O6
O
0.8178 0.1799 0.6299 1 3.25
  O7
O
0.4905 -0.2056 0.6435 1 2.68
  O8
O
0.6349 0.1218 0.7831 1 3.3
  O9
O
0.6598 0.2974 0.8514 1 3.2
  O10
O
0.6379 -0.1243 0.7616 1 3.44
  O11
O
0.4594 0.1869 0.6233 1 3.38
  O12
O
0.6437 0.1546 0.5907 1 3.41
  C1
C
0.17 0.0043 0.139 1 5.7
  N1
N
0.124 -0.08 0.144 1 9.07
  C2
C
0.124 0.096 0.13 1 7.49
  C3
C
0.031 0.1 0.123 1 7.94
  C4
C
-0.012 0.01 0.135 1 10.94
  C5
C
0.035 -0.081 0.144 1 8.69
  H11
H
0.2373 0.0011 0.1413 1 6.47
  H111
H
0.1579 -0.1462 0.1486 1 9.19
  H21
H
0.1594 0.16 0.129 1 8.35
  H31
H
-0.0055 0.1653 0.1099 1 7.82
  H41
H
-0.0774 0.0124 0.137 1 11.99
  H51
H
0.0042 -0.146 0.1501 1 9.69


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