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. 2016 Aug 1;72(Pt 4):602–625. doi: 10.1107/S2052520616008507

Figure 2.

Figure 2

Ratio of the gap between the (a) third- and fourth-, (b) eighth- and ninth-, (c) thirteenth and fourteenth-shortest interatomic distance and the mean bond length of the (a) three, (b) eight, (c) thirteen shortest interatomic distances for coordination numbers (a) [3] and [4], (b) [8] and [9] and (c) [13] and [14]. Ions used are (a) Li+, Be2+, B3+, Na+ and S6+; (b) Na+, Ca2+, Y3+, Te4+, La3+; (c) K+, Rb+, Cs+, Ba2+. The lack of overlap between the two distributions of Fig. 2(a) suggests that the fourth shortest distance for ions described as [3] is non-bonding. In Figs. 2(b) and (c), the increasing overlap between the two distributions shows that the determination of the exact coordination number for larger coordination polyhedra is more ambiguous. Sample sizes are (a) n [3] + 1 = 41 and n [4] = 58 coordination polyhedra; (b) n [8] + 1 = 50 and n [9] = 50 coordination polyhedra; (c) n [13] + 1 = 50 and n [14] = 47 coordination polyhedra.