Table 2. Experimental details.
Crystal data | |
Chemical formula | TbOCl |
M r | 210.4 |
Crystal system, space group | Tetragonal, P4/n m m |
Temperature (K) | 293 |
a, c (Å) | 3.9279 (2), 6.6556 (5) |
V (Å3) | 102.68 (1) |
Z | 2 |
Radiation type | Cu Kα, λ = 1.54188 Å |
Specimen shape, size (mm) | Cylinder, 25 × 25 |
Data collection | |
Diffractometer | Bruker D8 Advance |
Specimen mounting | Packed powder pellet |
Data collection mode | Reflection |
Scan method | Step |
2θ values (°) | 2θmin = 5, 2θmax = 68.977, 2θstep = 0.019 |
Refinement | |
R factors and goodness of fit | R p = 0.020, R wp = 0.032, R exp = 0.009, R(F) = 0.033, χ2 = 13.690 |
No. of parameters | 17 |