Figure 3
From: Nitrogen concentration driving the hardness of rhenium nitrides
Crystal structures of Re nitrides.
(a) Re; (b) Re3N; (c) Re2N; (d) P-6m2-Re3N2: Re1 atoms occupy the 1f (0.6667, 0.3333, 0.5), Re2 atoms occupy the 2h (0.3333, 0.6667, 0.2361) and N atoms occupy the 2i (0.6667, 0.3333, 0.0841) positions; (e) C2/m-ReN2; (f) Imm2-ReN3: Re atoms occupy the 2b (0.5, 0, 0.3466), N1 atoms occupy the 4c (0.21, 0.5, 0.2455) and N2 atoms occupy the 2b (0, 0.5, 0.4123) positions; and (g) Cmmm-ReN4 (at 50 GPa): Re atoms occupy the 2b (0, 0.5, 0), while N atoms occupy the 8q (0.8401, 0.1927, 0.5) positions. Large and small balls denote Re and N atoms, respectively.
