Table 8.

Crystallographic data of magnesium alanates.

Compound	Space Group, Cell Dimensions [Å] and Angles [°]	Atomic Coordinates
Mg(AlH4)2	(P −3 m 1) No. 164 [202] a = b = 5.1949(2); c = 5.8537(2) α = 90; β = 90; γ = 120	Mg: 0, 0, 0 Al: 0.3333, 0.6667, 0.7057(5) H1: 0.3333, 0.6667, 0.439(2) H2: 0.1589(14), −0.1589(14), 0.804(2)
MgAlH5	(P 21 21 21) No. 19 [206] a = 4.55; b = 4.26; c = 13.024 α = 90; β = 90; γ = 90	Mg: −0.2504, −0.2466, −0.3204 Al: 0.2486, 0.2528, −0.4083 H1: −0.4756, −0.0559, 0.4069 H2: −0.03, 0.0912, 0.3051 H3: 0.4719, −0.0516, −0.4063 H4: 0.0284, 0.0975, −0.3045 H5: −0.0024, 0.0916, −0.4994
α-MgAlH5	(P 21 /c) No. 14 [207] a = 4.7499; b = 8.8127; c = 6.6281 α = 90; β = 90; γ = 109.75	Mg: 0.527, 0.985, 0.253 Al: 0.092, 0.245, 0.395 H1: 0.400, 0.121, 0.444 H2: 0.349, 0.390, 0.495 H3: 0.121, 0.592, 0.201 H4: 0.197, 0.862, 0.142 H5: 0.130, 0.305, 0.156
β-MgAlH5	(Cc) No. 9 [207] a = 7.8033; b = 5.7251; c = 6.7393 α = 90; β = 90; γ = 115.39	Mg: 0.542, 0.025, 0.257 Al: 0.000, 0.000, 0.000 H1: 0.008, 0.924, 0.256 H2: 0.201, 0.289, 0.034 H3: 0.771, 0.969, 0.882 H4: 0.027, 0.299, 0.979 H5: 0.246, 0.031, 0.130