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. 2020 Apr 3;76(Pt 5):621–624. doi: 10.1107/S2056989020004387

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)
V3) 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 (°) min = 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

Computer programs: XRD Commander (Kienle & Jacob, 2003), TOPAS (Bruker, 2009), SUPERFLIP (Palatinus & Chapuis, 2007), JANA2006 (Petříček et al., 2014), VESTA (Momma & Izumi, 2011) and publCIF (Westrip, 2010).