Table 4 The average bond order (BO), average bond length (BL, in unit of Å) and scaled bond order (BO^s, in unit of Å⁻¹) between Mg–Ni, Ni–H, La–H and Mg–H for LaMg₂Ni, LaMg₂NiH_4.5 and LaMg₂NiH₇ and corresponding Co- and Pd-containing compounds LaMg₂Ni–Co, LaMg₂NiH_4.5–Co, LaMg₂NiH₇–Co, LaMg₂Ni–Pd, LaMg₂NiH_4.5–Pd and LaMg₂NiH₇–Pd according to Mulliken population analysis.

Systems	Mg–Ni			Ni–H			La–H			Mg–H
Systems	BO	BL	BO^s	BO	BL	BO^s	BO	BL	BO^s	BO	BL	BO^s
LaMg₂Ni	0.475	2.775	0.171	…	…	…	…	…	…	…	…	…
LaMg₂NiH_4.5	0.283	2.715	0.104	0.662	1.582	0.418	0.142	2.475	0.057	0.02	2.008	0.01
LaMg₂NiH₇	0.117	2.723	0.043	0.741	1.581	0.469	0.163	2.485	0.066	0.041	2.379	0.017
LaMg₂Ni–Co	0.441	2.795	0.158	…	…	…	…	…	…	…	…	…
LaMg₂NiH_4.5–Co	0.240	2.718	0.088	0.676	1.573	0.430	0.145	2.506	0.058	0.015	2.080	0.007
LaMg₂NiH₇–Co	0.110	2.722	0.040	0.724	1.619	0.447	0.159	2.485	0.064	0.045	2.275	0.020
LaMg₂Ni–Pd	0.476	2.794	0.170	…	…	…	…	…	…	…	…	…
LaMg₂NiH_4.5–Pd	0.279	2.719	0.103	0.663	1.580	0.420	0.152	2.475	0.061	0.022	2.120	0.010
LaMg₂NiH₇–Pd	0.126	2.724	0.046	0.740	1.582	0.468	0.173	2.486	0.070	0.049	2.335	0.021

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