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. 2020 Apr 14;53(Pt 3):614–622. doi: 10.1107/S1600576720003143

Table 1. Experimental parameters of the differently prepared LiNbO3 crystals.

‘obs’ and ‘all’ correspond to observed [Inline graphic] and all recorded reflections with intensity I; Inline graphic is the maximum diffraction angle, h, k, l are the Miller indices, R corresponds to the different quality parameters of the data sets {Inline graphic considers the integrated reflection intensities while Inline graphic 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 Inline graphic 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
 
max (°) 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