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. 2015 May 9;71(Pt 6):588–591. doi: 10.1107/S2056989015008828

Table 2. Experimental details.

Crystal data
Chemical formula Ba(ClO4)2
M r 336.23
Crystal system, space group Orthorhombic, F d d d
Temperature (K) 298
a, b, c () 14.304(9), 11.688(7), 7.2857(4)
V (3) 1218.1(11)
Z 8
Radiation type Cu K 1, = 1.54059
Specimen shape, size (mm) Flat sheet, 20 20
 
Data collection
Diffractometer PANalytical Empyrean
Specimen mounting Packed powder
Data collection mode Reflection
Scan method Step
2 values () 2min = 14.992 2max = 129.964 2step = 0.026
 
Refinement
R factors and goodness of fit R p = 0.041, R wp = 0.060, R exp = 0.045, R(F 2) = 0.05733, 2 = 1.769
No. of data points 4423
No. of parameters 25

Computer programs: X’Pert Data Collector and X’Pert HighScore-Plus (PANalytical, 2011), GSAS (Larson Von Dreele, 2000), SHELXS97 (Sheldrick, 2008), CRYSTALS (Betteridge et al., 2003) and ATOMS (Dowty, 2000).