Crystal structure of KMnPO4F with short and long range order inside the layered magnetic system

Yakubovich, O.V.; Shvanskaya, L.V.; Kiriukhina, G.V.; Simonov, S.V.; Volkov, A.S.; Dimitrova, O.V.; Korolev, V.V.; Ovchenkov, Y.A.; Vasiliev, A.N.

Авторы: Yakubovich Olga V., Shvanskaya Larisa V., Kiriukhina Galina V., Simonov Sergey V., Volkov Anatoly S., Dimitrova Olga V., Korolev Vladimir V., Ovchenkov Yevgeny A., Vasiliev Alexander N.
Журнал: Dalton Transactions
Том: 53
Номер: 21
Год издания: 2024
Издательство: Royal Society of Chemistry
Местоположение издательства: United Kingdom
Первая страница: 9216
Последняя страница: 9223
DOI: 10.1039/D4DT00878B
Аннотация: Potassium manganese fluoride phosphate, KMnPO4F, has been obtained through mild hydrothermal synthesis and characterized by scanning electron microscopy, microprobe analysis and X-ray diffraction. The compound possesses an orthorhombic symmetry and chiral space group P212121 with a = 4.7884(2), b = 9.0172(4), c = 9.5801(4) Å, Z = 4. Its crystal structure is comprised by Mn3+O4F square pyramids sharing vertices with PO4 tetrahedra. This anionic framework is neutralized by K+ cations. As the temperature decreases, a short-range correlation state (Tmax ~ 35 K) of KMnPO4F is formed, followed by the establishment of antiferromagnetic (AFM) long-range order at TN = 25 K. The latter is marked by sharp λ-type anomalies in both Fisher’s specific heat d(χ∥T)/dT and heat capacity Cp. Pulsed magnetic field measurements on the single crystals identify the a axis as the easy magnetic axis and reveal a spin-flop transition at µ0Hspin-flop = 19 T. Density functional theory indicates that in variance with three-dimensional network of KMnPO4F, it is a two-dimensional Ising magnetic system represented by buckled layers of integer spins S = 2 of Mn3+ ions. The strongest AFM exchange interaction, J1 ~ − 13 K, couples Mn3+ ions into linear chains running along the a axis. The chains themselves are ferromagnetically connected (J3 ~ 4 K) within the ab plane. The interplane AFM exchange interaction (J2 ~ − 1 K) is weak and frustrated.
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1.	Полный текст		KMnPO4F.pdf	808,1 КБ	14 мая 2024 [Yakubovich]
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