Abstract
The title compounds were synthesized by heating stoichiometric mixtures of the binary hydrides (deuterides) to 820 K in a multi-anvil press at 30 kbar pressure. X-ray and neutron powder diffraction on the deuterides at ambient conditions indicates rhombohedral symmetry for CsMgH 3 (space group R-3m, a=6.2521(6), c=22.382(3) Å, BaRuO 3 type structure), orthorhombic symmetry for Cs 4Mg 3H 10 ( Cmca, a=6.2569(9), b=14.743(2), c=13.791(2) Å, Cs 4Mg 3F 10 type structure), and tetragonal symmetry for Cs 2MgH 4 ( I4/mmm, a=4.3264(5), c=14.760(2) Å, K 2NiF 4 type structure). The compounds contain octahedral [MgH 6] 4− anions and have considerably better volume efficiencies for hydrogen storage than those containing tetrahedral [MgH 4] 2− anions that are synthesised under hydrogen gas pressure.
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