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Revisiting the magnetic and crystal structure of multiferroic KNiPO$_4$

The magnetic, dielectric and structural properties of type-I multiferroic KNiPO$_4$ have been investigated by neutron powder diffraction, magnetization, dielectric and high temperature synchrotron-XRD measurements. Below the Néel transition of $T_\mathrm{N}$ = 25 K, KNiPO$_4$ displays a weakly non-collinear antiferromagnetic (AFM) structure with the orientation of the Ni$^{2+}$ magnetic moments mainly along $a$ axis. The compound crystallizes in the polar orthorhombic $Pna2_1$ space group at room temperature. A second-order structural phase transition corresponding to the onset ferroelectricity is observed at around $T_\mathrm{C}\sim$ 594(3)$^\circ$C, above which the crystal structure of KNiPO$_4$ adopts the centrosymmetric $Pnma$ space group. The compound also displays another structural phase transition at $T_\mathrm{0}\sim$ 469 -- 488$^\circ$C, with a first-order character, which is attributed to the rearrangement of oxygen ligands, resulting in a change in the nickel ion co-ordination from four to five.