Table 2.
Refined structural parameters for SrTCP samples.
| M 1 | 10SrTCP | 20SrTCP | 40SrTCP | 60SrTCP | 80SrTCP | 80SrTCP 5 | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| OF Sr atoms/cell | ||||||||||||||
| M(1) | 18 | 0.01 | 0 | 0.10 | 1.8 | 0.34 | 6.1 | 0.62 | 11.2 | 0.73 | 13.1 | M(1) | 0.85 | 30.6 |
| M(2) | 18 | 0.05 | 0.9 | 0.09 | 1.6 | 0.33 | 6.0 | 0.68 | 12.2 | 0.83 | 15.0 | M(31) | 0.23 | 8.28 |
| M(3) | 18 | 0.17 | 3.06 | 0.40 | 7.2 | 0.68 | 12.2 | 0.67 | 12.1 | 0.80 | 14.4 | M(32) | 0.23 | 8.28 |
| M(4) 2 | 6 | 0.32 | 1.92 | 0.40 | 2.4 | 0.41 | 2.4 | 0.41 | 2.4 | 0.43 | 2.6 | M(4) | 0.22 | 2.64 |
| M(5) | 6 | 0 | 0 | 0 | 0 | 0.01 | 0 | 0.01 | 0 | 0.01 | 0 | M(5) | 0 | 0 |
| Sr at./cell 3 | 5.88 | 13.0 | 26.7 | 37.9 | 45.1 | 49.8 | ||||||||
| Sr at% 4 | 9.4 | 20.6 | 42.2 | 60.0 | 71.4 | 79.0 | ||||||||
| Rwp (%) | 6.3 | 6.6 | 12.7 | 13.8 | 17.9 | 9.2 | ||||||||
1 multiplicity of crystal site; 2 the overall content of site 4 is 0.43; 3 total metal atoms inside unit cell are 63.2 [15]; 4 from refinement; 5 data based on β’-TCP setting [32]. Since β’-TCP cell is half of β-TCP cell, the data of atom/cell have been doubled in order to allow direct comparison with other samples. In β’-TCP M(1) and M(31) + M(32) are equivalent in β-TCP to M(1) + M(2) and M(3) respectively.