Materials Data on Si3B by Materials Project

Kristin Persson
BSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. B is bonded to twelve equivalent Si atoms to form BSi12 cuboctahedra that share corners with six equivalent BSi12 cuboctahedra, corners with twelve equivalent SiSi8B4 cuboctahedra, edges with eighteen equivalent SiSi8B4 cuboctahedra, faces with eight equivalent BSi12 cuboctahedra, and faces with twelve equivalent SiSi8B4 cuboctahedra. There are six shorter (2.51 Å) and six longer (2.64 Å) B–Si bond lengths. Si is bonded to...
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