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Abstract
Calcium magnesium nickel tetrahydride, CaMgNiH 4, and its deuteride were prepared by sintering ternary metal alloy powders at 450–460 °C under 100–130 bar hydrogen (deuterium) pressure, and characterized by X-ray and neutron powder diffraction. The compound crystallizes with a cubic structure (space group P2 13 2 a = 6.7414(4) Å (hydride) and 6.7301(4) Å (deuteride) at 298 K) that contains [NiD 4] 4− complex ions in which two types of deuterium atoms surround nickel in an ordered, nearly regular tetrahedral configuration with bond distances [Ni−D1] = 1.597(9) and [Ni-3 × D2] = 1.602(8) Å, and bond angles in the range [DNiD] = 107.6(5)°−111.3(5)°. The thermal stability as measured from pressure-composition isotherms on the hydride is ΔH des = −129(3) kJ (mol H 2) −1.
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