A new oxide, LaMn3
, was prepared by high-pressure and high-temperature synthesis methods. The compound crystallizes in an AA?3
-type A?-site and B-site ordered quadruple perovskite structure. The charge combination is confirmed to be LaMn3
+2O12, where La and Mn3+
are 1:3 ordered at the A and A? sites and the Ni2+
are also distributed at the B and B? sites in an orderly fashion in a rocksalt-type manner, respectively. A G-type antiferromagnetic ordering originating from the A?-site Mn3+
sublattice is found to occur at TN ? 46 K. Subsequently, the spin coupling between the B-site Ni2+
and B?-site Mn4+
sublattices leads to an orthogonally ordered spin alignment with a net ferromagnetic component near TC ? 34 K. First-principles calculations demonstrate that the A?-site Mn3+ spins play a crucial role in determining the spin structure of the B and B? sites. This LaMn3
provides a rare example that shows orthogonal spin ordering in the B and B? sites assisted by ordered A-site magnetic ions in perovskite systems.
Chem. Mater., 2016
Crystal structure of both A- and B-site ordered AA'3B2B'2O12-type quadruple perovskite with Pn3 symmetry. Atomic positions: A 2a (0.25, 0.25, 0.25), A? 6d (0.25, 0.75, 0.75), B 4b (0, 0, 0), B? 4c (0.5, 0.5, 0.5), and O 24h (x, y, z).