Fig. 3
From: Revealing and exploiting hierarchical material structure through complex atomic networks
The highly complex structure of β-B105 (in the 105-atom rhombohedral unit cell) and its modular decompositions. The complexity of the structure means a more complex landscape of possible decompositions. The module structure that minimises the amount of information I (normalised here by the maximum value of 3N − 6) required to describe the crystal structure, occurs for values around w s = 1.66 and d * = 2.82Å. This decomposition consists of four icosahedra, two large 25-atom structures with threefold symmetry (C3v ), and a further module with dihedral symmetry (D3d ). Two of the four icosahedra have exact icosahedral symmetry, whereas the other two are slightly distorted, and exhibit C2v symmetry
