Table 2 Expected coordinates at HT Pnma phase based on LT P112₁/a structure (a₀ × b₀ × c₀) (atoms are at 4c site¹⁹).

Atoms	x	¼	z	−x + 1/2	¾	Z + 1/2	−x	¾	−z	X + 1/2	¼	−z + 1/2
Ru1	0.0580	0.25	0.1153	0.4420	0.75	0.6153	−0.0580	0.75	−0.1153	0.5580	0.25	0.3847
Ru2	0.0850	0.25	0.6026	0.4150	0.75	0.1026	−0.0850	0.75	−0.6026	0.5850	0.25	−0.1026
Na1	0.2395	0.25	0.3409	0.2605	0.75	−0.1591	−0.2395	0.75	−0.3409	0.7395	0.25	0.1591
O1	0.2950	0.25	0.6585	0.2050	0.75	0.1585	−0.2950	0.75	−0.6585	0.7950	0.25	−0.1585
O2	0.3849	0.25	0.9762	0.1151	0.75	0.4762	−0.3849	0.75	−0.9762	0.8849	0.25	−0.4762
O3	0.4730	0.25	0.2195	0.0270	0.75	−0.2805	−0.4730	0.75	−0.2195	0.9730	0.25	0.2805
O4	0.0863	0.25	0.9347	0.4137	0.75	0.4347	−0.0863	0.75	−0.9347	0.5863	0.25	−0.4347

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