Abstract
Single crystals of a new barium-manganese oxide were grown under hydrothermal conditions at 600°C and 0.2 GPa. The chemical composition determined by X-ray analysis is BaMn 3O 5(OH). The compound crystallizes in the orthorhombic system (space group Immm) with a basic cell of a = 19.355(3) Å, b = 4.531(1) Å, c = 2.791(1) Å, and Z = 2. The structure exposes a supercell with twice the volume of the basic cell and monoclinic symmetry ( a = 19.554(3) Å, b = 4.531(1) Å, c = 5.581(1) Å, β = 98.20(1)°, Z = 4, space group C2 /m). The crystal structure was determined by the Patterson method and refined to R = 0.038 based on 1184 independent reflections. The structure consists of ribbons composed of four parallel chains of edge-sharing MrO 6 octahedra running along [001] and parallel to the (010) plane. The two outer chains of the ribbon are complete. One out of two Mn ions is missing in the two inner chains. In these octahedra the corner-sharing oxygens are replaced by Ba. The MnO 6 octahedra are highly distorted and indicate the trivalent state of Mn. Valence balance at the site and large temperature factors are clear evidence of a replacement of one of seven independent oxygens by OH.
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