Figure 6
From: Discovery of Ternary Silicon Titanium Nitride with Spinel-Type Structure
(a) Lowest-enthalpy structure of Si21Ti3N32 and (b) its arrangement of fused TiN6-cluster. (c) Local environment of vacancy site in Si21Ti3N31 exhibiting TiN5V-octahedra (d) Lowest-enthalpy structure of Si18Ti6N31 highlighting the chain of edge-sharing TiN6-/TiN5V-octahedra. Green spheres represent N, red and dark blue spheres tetrahedral and octahedral Si, respectively, and light blue (cyan) spheres Ti.
