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We investigate a text-book mixed-anion compound SrVO$_2$H usingfirst-principles calculation, to theoretically pin down the factors thatstabilize its anion ordering. We find that the $trans$ preference by thecharacteristic crystal field in the VO$_4$H$_2$ octahedron in addition to acoherent shrinkage along the V-H-V direction, taking place when such directionis consistent among neighboring hydrogens, stabilize the anion orderingobserved in experiment. Our study gives an important clue for controlling theanion ordering in transition metal oxyhydrides.

Quantifying the stability of the anion ordering in SrVO$_2$H