Table 14.
Compound | Space Group, Cell Dimensions [Å] | Atomic Coordinates |
---|---|---|
Na2LiAlD6 (experimental) |
Fm-3m (No. 225) [284] a: 7.38484 (5) |
Na: 0.25, 0.25, 0.25 Li: 0.5, 0.5, 0.5 Al: 0, 0, 0 D: 0.238(4), 0, 0 |
Na2LiAlH6 (calculated) |
P 21/c (No. 14) [282] a = 5.165; b = 5.251; c = 7.339 α = 90, β = 90.03, γ = 90 |
Li: 0, 0, 0.5 Na: 0.99, 0.47, 0.25 Al: 0, 0, 0 H: 0.07, 0.02, 0.23 H: 0.23, 0.3, 0.53 H: 0.2, 0.27, 0.96 |