Structure and magnetism of the A site scandium perovskite (Sc0.94Mn0.06)Mn0.65Ni0.35O3synthesized at high pressure

Scandium perovskite (Sc0.94Mn0.06)Mn0.65Ni0.35O3, synthesized at high pressure and high temperature, has a triclinic structure (space group $\mathrm{P}\overline{1}$) at room temperature and ambient pressure with a √2ap × √2ap × 2ap structure with a ≈ 90°, β ≈ 89°, γ ≈ 90°. Magnetic measurements show that the material displays Curie–Weiss behaviour above 50 K with C = 2.11 emu K mol–1 (μeff = 4.11 μB per formula unit) and θ = –95.27 K. Bond valence sum analysis of the crystal structure shows that manganese is present in three different oxidation states (+2, +3, +4), with the +2 oxidation state on the A site resulting in a highly tilted perovskite structure (average tilt 21.2° compared with 15.7° calculated for LaCaMnNbO6), giving the formula $\left(\mathrm{S}{\mathrm{c}}_{0.94}^{3+}\mathrm{M}{\mathrm{n}}_{0.06}^{2+}\right)\left(\mathrm{M}{\mathrm{n}}_{0.41}^{4+}\mathrm{M}{\mathrm{n}}_{0.09}^{3+}\right)\left(\mathrm{M}{\mathrm{n}}_{0.15}^{3+}\mathrm{N}{\mathrm{i}}_{0.35}^{2+}\right){\mathrm{O}}_{3}$.