Departamento de Química Inorgánica & Laboratorio Complutense de Altas Presiones, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid, Spain.
J Am Chem Soc. 2011 Jun 8;133(22):8552-63. doi: 10.1021/ja109376s. Epub 2011 May 16.
A novel ScVO(3) perovskite phase has been synthesized at 8 GPa and 1073 K from the cation-disordered bixbyite-type ScVO(3). The new perovskite has orthorhombic symmetry at room temperature, space group Pnma, and lattice parameters a = 5.4006(2) Å, b = 7.5011(2) Å, and c = 5.0706(1) Å with Sc(3+) and V(3+) ions fully ordered on the A and B sites of the perovskite cell. The vanadium oxygen octahedra [V-O(6)] display cooperative Jahn-Teller (JT) type distortions, with predominance of the tetragonal Q(3) over the orthorhombic Q(2) JT modes. The orthorhombic perovskite shows Arrhenius-type electrical conductivity and undergoes a transition to triclinic symmetry space group P-1 close to 90 K. Below 60 K, the magnetic moments of the 4 nonequivalent vanadium ions undergo magnetic long-range ordering, resulting in a magnetic superstructure of the perovskite cell with propagation vector (0.5, 0, 0.5). The magnetic moments are confined to the xz plane and establish a close to zigzag antiferromagnetic mode.
一种新型的 ScVO(3)钙钛矿相在 8GPa 和 1073K 条件下，由阳离子无序的金红石型 ScVO(3)合成得到。新的钙钛矿在室温下具有正交对称性，空间群为 Pnma，晶格参数为 a=5.4006(2)Å，b=7.5011(2)Å，c=5.0706(1)Å，Sc(3+)和 V(3+)离子完全有序占据钙钛矿晶胞的 A 和 B 位。钒氧八面体[V-O(6)]呈现协同 Jahn-Teller (JT)型畸变，以四方 Q(3)为主，正交 Q(2)JT 模式为辅。正交钙钛矿表现出 Arrhenius 型电导率，并在接近 90K 时转变为三方晶系空间群 P-1。在 60K 以下，4 个不等价的钒离子的磁矩经历长程磁有序，导致钙钛矿晶胞的磁超结构具有传播矢量(0.5,0,0.5)。磁矩被限制在 xz 平面内，并建立了一个接近之字形的反铁磁模式。
