Abstract Single crystals of a novel Bi Ni phosphate Ni(BiO)2(PO4)(OH) were synthesized by a hydrothermal method in Bi2O3 NiO K2O P2O5 system and characterized by X-ray structure analysis and IR… Click to show full abstract
Abstract Single crystals of a novel Bi Ni phosphate Ni(BiO)2(PO4)(OH) were synthesized by a hydrothermal method in Bi2O3 NiO K2O P2O5 system and characterized by X-ray structure analysis and IR and Raman spectroscopy. This compound crystallizes in a namibite type structure with triclinic unit-cell parameters, a = 6.3220 (3) A, b = 6.9043 (4) A, c = 7.5641 (5) A, α = 90.483 (5)°, β = 107.219 (5)°, γ = 110.758 (5)°; V = 292.51 (3) A3; space group P 1 ¯ (No. 2). Crystal structure is refined to final R1 = 4.09 using 1637 I > 2σ(I). The structure contains infinite chains {Ni(OH)(PO4)}∞ built of corner-sharing NiO6 octahedra. Microscopic calculations of the intra- and interchain J (Ni Ni) exchange parameters suggests possible S = 1 antiferromagnet chain behavior of this compound at low temperatures.
               
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