Table 1. Experimental parameters of the differently prepared LiNbO3 crystals.
‘obs’ and ‘all’ correspond to observed [
] and all recorded reflections with intensity I;
is the maximum diffraction angle, h, k, l are the Miller indices, R corresponds to the different quality parameters of the data sets {
considers the integrated reflection intensities while
considers the estimated standard deviation (e.s.d.) values of the structure factors; Petricek et al., 2014 ▸}, μ is the linear absorption coefficient, T is the transmission of X-rays and
is the volume of the investigated crystals according to the absorption correction.
| Crystal | LN1 | LN2 | LN3 |
|---|---|---|---|
| Preparation method | FIB | FIB + tip | As cut |
| Crystal shape | Cubic | Cubic | Random |
| Approximate crystal size (µm) | 50 × 50 × 63 | 50 × 50 × 63 | 40 × 62 × 100 |
| 2θmax (°) | 117.4 | ||
| λ(Mo Kα) (Å) | 0.71076 | ||
| sinθmax/λ (Å−1) | 1.2 | ||
| h, k, l | −12 < h < 12 | ||
| −12 < k < 9 | |||
| −32 < l < 32 | |||
| Reflections (obs/all) | 10271/11592 | 7644/8594 | 7422/8389 |
| Redundancy | 10.0 | 7.4 | 7.2 |
| R int (obs/all) (%) | 2.93/2.94 | 4.38/4.38 | 3.10/3.10 |
| R e.s.d. (obs/all) (%) | 0.44/0.46 | 0.30/0.30 | 0.35/0.36 |
| μ (mm−1) | 5.3270 | 5.3270 | 5.3270 |
| T min | 0.76 | 0.57 | 0.67 |
| T max | 0.82 | 0.76 | 0.85 |
| V crystal (10−4 mm3) | 1.51 | 2.07 | 2.14 |
| Reflection intensity I hkl (a.u.) | |||
| 102 | 768 352 | 152 500 | 113 650 |
| 006 | 279 577 | 92 905 | 40 847 |
| 110 | 435 106 | 133 506 | 85 186 |