Synthesis and characterization of the crystal structure and magnetic properties of the ternary manganese vanadate NaMnVO4.

A new ternary manganese vanadate, NaMnVO(4), was synthesized by solid state reaction route, and its crystal structure and magnetic properties were characterized by X-ray diffraction, magnetic susceptibility and specific heat measurements, and by density functional calculations. NaMnVO(4) crystallizes in the maricite-type structure with space group Pnma, a = 9.563(1) A, b = 6.882(1) A, c = 5.316(1) A, and Z = 4. NaMnVO(4) contains MnO(4) chains made up of edge-sharing MnO(6) octahedra, and these chains are interlinked by VO(4) tetrahedra. The magnetic susceptibility has a broad maximum at T(max) = 24 K and follows the Curie-Weiss behavior above 70 K with θ = -62 K. NaMnVO(4) undergoes a three-dimensional antiferromagnetic ordering at T(N) = 11.8 K. The spin exchanges of NaMnVO(4) are dominated by the intrachain antiferromagnetic exchange, and the interchain spin exchanges are spin-frustrated. The most probable magnetic structure of the ordered magnetic state below T(N) was predicted on the basis of the extracted spin exchanges.