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Figure 10
Illustration in two dimensions of two sets of neighbors having the same coordination number. (a) Local environment of atom 0. Normalized distances to neighbors 1, 2, 3 and 4 are [\overline{d^0_1} = \overline{d^0_3} = 1.0], [\overline{d^0_2}] = 1.15 and [\overline{d^0_4}] = 1.35. Normalized angles to neighbors 1, 2, 3 and 4 are [\overline{\Omega^0_{4}}] = 1.0, [\overline{\Omega^0_{1}} = \overline{\Omega^0_{3}} \approx 0.924] and [\overline{\Omega^0_{2}} \approx 0.42]. (b) Set of neighbors (1, 2 and 3) of atom 0 with N = 3. This set of neighbors is obtained with e.g. κ = 1.25 and γ = 0.3 cut-offs. (c) Another set of neighbors (1, 3 and 4) of atom 0 with N = 3. This set of neighbors is obtained with e.g. κ = 1.4 and γ = 0.5 cut-offs.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 76| Part 4| August 2020| Pages 683-695
https://doi.org/10.1107/S2052520620007994
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