Table 1.

Crystallographic data of alanes.

Compound	Space Group, Cell Dimensions [Å] and Angles [°]	Atomic Coordinates
α-AlD3	(R-3c) No. 167 [66] a = 4.227; b = 4.227; c = 11.244 α = β = 90; γ = 120	Al: 0, 0, 0 D: 0.63, 0, ¼
α’-AlD3	(Cmcm) No. 63 [47] a = 6.470(3); b = 11.117(5); c = 6.562(2) α = β = 90; γ = 90	Al1: 0, ½, 0 Al2: ¼, ¼, 0 D1: 0, 0.197(2), 0.451(4) D2: 0.312(2), 0.1000(14), 0.047(3) D3: 0, 0.465(3), ¼ D4: 0.298(4), 0.277(2), ¼
β-AlD3	(Fd-3m) No. 227 [67] a = 9.0037(1); b = 9.0037(1); c = 9.0037(1) α = β = γ = 90	Al1: ½, 0, 0 D1: 0.4301(1); 0.125; 0.125
γ-AlD3	(Pnnm) No. 58 [68] a = 7.3360(3); b = 5.3672(2); c = 5.7562(1) α = β = γ = 90	Al1: 0, 0, 0 Al2: 0.4174(5), 0.7127(6), 0 D1: 0.2044(9), 0.8269(11), 0 D2: 0.3668(10), 0.3931(13), 0 D3: 0, ½, ½ D4: 0.4174(6), 0.7038(8), 0.3009(6)