The First Layer Potassium–Bismuth-Nickel Oxophosphate KBi4Ni2(PO4)3O4: Synthesis, Crystal Structure, and Expected Magnetic Properties

Yamnova, N.A.; Aksenov, S.M.; Mironov, V.S.; Volkov, A.S.; Borovikova, E.Y.; Gurbanova, O.A.; Dimitrova, O.V.; Deyneko, D.V.

Авторы: Yamnova N.A., Aksenov S.M., Mironov V.S., Volkov A.S., Borovikova E.Yu, Gurbanova O.A., Dimitrova O.V., Deyneko and D.V.
Журнал: Crystallography Reports
Том: 62
Номер: 3
Год издания: 2017
Издательство: Maik Nauka/Interperiodica Publishing
Местоположение издательства: Russian Federation
Первая страница: 382
Последняя страница: 390
Оригинальные версии: Первый слоистый оксофосфат калия, висмута и никеля KBi4Ni2(PO4)3O4: синтез, кристаллическая структура и потенциальные магнитные свойства
DOI: 10.1134/S1063774517030245
Аннотация: Abstract—The new potassium–bismuth–nickel oxophosphate obtained by hydrothermal synthesis in the Bi(OH)3–NiCO3–K2CO3–K3PO4 system is studied by X-ray diffraction, IR spectroscopy, and Raman spectroscopy. Parameters of the orthorhombic cell are as follows: a = 13.632(1) Å, b = 19.610(2) Å, and c = 5.4377(3) Å; V = 1452.64(2) Å3; and space group Pnma. The structure is solved and refined to the final discrepancy factor R1 = 5.76% in the anisotropic approximation of atomic displacements using 3606 reflections with I > 2σ(I). The crystal-chemical formula (Z = 4) is KBi4{Ni2O4(PO4)3}, where the composition of the layer nickel–phosphate polyanion is enclosed in braces. Theoretical calculations show that all exchange spin interactions between Ni2+ ions are antiferromagnetic and very weak (J < 0.1 cm–1) because of the polyatomic character of bridging Ni–O–P–O–Ni and Ni–O–Bi–O–Ni groups. Thus, this compound is expected to be paramagnetic with very weak antiferromagnetic exchange interactions and appreciable energy of zero-field splitting of the spin levels of Ni2+ ions.
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The First Layer Potassium–Bismuth-Nickel Oxophosphate KBi4Ni2(PO4)3O4: Synthesis, Crystal Structure, and Expected Magnetic Propertiesстатья

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