Synthesis, crystal structure, vibrational spectroscopy and expected magnetic properties of a new bismuth nickel phosphate Ni(BiO)2(PO4)(OH) with a namibite-type structure

• Published in: Solid state sciences 2017-01, Vol.63, p.16-22
• Main Authors: Aksenov, Sergey M., Mironov, Vladimir S., Borovikova, Elena Yu, Yamnova, Natalia A., Gurbanova, Olga A., Volkov, Anatoly S., Dimitrova, Olga V., Deyneko, Dina V.
• Format: Article
• Language: English
• Subjects: Bismuth; Bismuth nickel oxophosphate; Crystal structure; Exchange; Hydrothermal synthesis; Magnetic properties; Namibite; Nickel; Parameters; Phosphates; Single-crystal X-ray diffraction; Synthesis
• ISSN: 1293-2558; 1873-3085
• DOI: 10.1016/j.solidstatesciences.2016.11.003

Single crystals of a novel BiNi phosphate Ni(BiO)2(PO4)(OH) were synthesized by a hydrothermal method in Bi2O3NiOK2OP2O5 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) Å, b = 6.9043 (4) Å, c = 7.5641 (5) Å, α = 90.483 (5)°, β = 107.219 (5)°, γ = 110.758 (5)°; V = 292.51 (3) Å3; space group P1¯(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 (NiNi) exchange parameters suggests possible S = 1 antiferromagnet chain behavior of this compound at low temperatures. [Display omitted] •Crystals of Ni(BiO)2(PO4)(OH) were synthesized by a hydrothermal method and characterized by XRD, IR- and Raman spectroscopy.•Compound crystallizes in a namibite type structure composed of chains {Ni(OH)(PO4)}∞ built of corner-sharing NiO6 octahedra.•Microscopic calculations of the J (NiNi) exchange parameters suggests possible S = 1 antiferromagnet chain behavior.