. 2019 Aug 25;12(17):2724. doi: 10.3390/ma12172724

Table 11.

Crystallographic data of barium-aluminum hydrides.

Compound	Space Group, Cell Dimensions [Å]	Atomic Coordinates
BaAlH₅	Pna21 (No. 33) [207] a = 9.1568; b = 7.0718; c = 5.1039 α = β = γ = 90	Ba: 0.686, 0.156, 0.256 Al: 0.041, 0.846, 0.229 H1: 0.008, 0.946, 0.905 H2: 0.584, 0.844, 0.025 H3: 0.578, 0.786, 0.504 H4: 0.357, 0.695, 0.233 H5: 0.708; 0.545, 0.214
Ba₂AlD₇	I2/a (No. 15) [235] a = 13.197(3); b = 10.237(2); c = 8.509(2) α = γ = 90; β = 101.290(9)	Ba1: 0.3459, 0.5848, 0.3249 Ba2: 0.1084, 0.3247, 0.0852, Al1: 0.927, 0.096, 0.235 D1: 0.004(1), 0.116(1), 0.077(2) D2: 0.846(1), 0.974(1), 0.135(2) D3: 0.023(1), 0.999(2), 0.325(2) D4: 0.844(1), 0.104(2), 0.387(2) D5: 0.983(1), 0.249(2), 0.324(2) D6: 0.832(1), 0.207(1), 0.115(2) D7: 0.693(1), 0.864(1), 0.322(2)