Rietveld refinement of powder XRD data of undoped and Co-doped TiO2 (T1: undoped TiO2, T3: 3% Co-TiO2, T4: 5% Co-TiO2, T5: 7% Co-TiO2).
Sample | Lattice parameters | Cell volume | Positions | Agreement factors | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
a (Å) | b (Å) | c (Å) | α | β | γ | x | y | z | B_iso | Occ | R p | R wp | χ 2 | ||
T1 | 3.7925 | 3.7925 | 9.4860 | 90 | 90 | 90 | 136.44 | 0.00 | 0.75 | 0.125 | 4.18 | 1.00 | 2.90 | 3.80 | 1.55 |
Ti | |||||||||||||||
O | 0.00 | 0.25 | 0.0891 | −9.47 | 1.00 | ||||||||||
T3 | 3.7924 | 3.7924 | 9.4925 | 90 | 90 | 90 | 136.53 | 0.00 | 0.75 | 0.125 | 6.00 | 0.97 | 2.08 | 2.67 | 1.07 |
Ti | |||||||||||||||
O | 0.00 | 0.25 | 0.0872 | −3.47 | 1.0 | ||||||||||
Co | 0.00 | 0.75 | 0.125 | 6.00 | 0.03 | ||||||||||
T4 | 3.7958 | 3.7958 | 9.4960 | 90 | 90 | 90 | 136.82 | 0.00 | 0.75 | 0.125 | 0.21 | 0.95 | 2.19 | 2.75 | 1.09 |
Ti | |||||||||||||||
O | 0.00 | 0.25 | 0.1070 | 0.76 | 1.00 | ||||||||||
Co | 0.00 | 0.75 | 0.125 | 0.21 | 0.05 | ||||||||||
T5 | 3.7991 | 3.7991 | 9.4830 | 90 | 90 | 90 | 136.87 | 0.00 | 0.75 | 0.125 | 5.85 | 0.9 | 1.92 | 2.41 | 1.08 |
Ti | |||||||||||||||
O | 0.00 | 0.25 | 0.0879 | −5.44 | 1.00 | ||||||||||
Co | 0.00 | 0.75 | 0.125 | 5.85 | 0.1 |