Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

Aksenov, S.M.; Yamnova, N.A.; Kabanova, N.A.; Volkov, A.S.; Gurbanova, O.A.; Deyneko, D.V.; Dimitrova, O.V.; Krivovichev, S.V.

Авторы: Aksenov Sergey M., Yamnova Natalia A., Kabanova Natalia A., Volkov Anatoly S., Gurbanova Olga A., Deyneko Dina V., Dimitrova Olga V., Krivovichev Sergey V.
Журнал: Crystals
Том: 11
Номер: 3
Год издания: 2021
Издательство: MDPI
Местоположение издательства: Basel, Switzerland
Первая страница: 237
Последняя страница: 237
DOI: 10.3390/cryst11030237
Аннотация: A new sodium manganese-nickel phosphate of alluaudite supergroup with the generalformula NaMnNi2(H2/3PO4)3 was synthesized by a hydrothermal method. The synthesis was carriedout in the temperature range from 540 to 660 K and at the general pressure of 80 atm from the oxidesmixture in the molar ratio MnCl2: 2NiCl2: 2Na3PO4: H3BO3: 10H2O. The crystal structure wasstudied by a single-crystal X-ray diffraction analysis: space group C2/c (No. 15), a = 16.8913(4),b = 5.6406(1), c = 8.3591(3) Å, b = 93.919(3), V = 794.57(4) Å3. The compound belongs to the alluauditestructure type based upon a mixed hetero-polyhedral framework formed by MX6-octahedra and TX4-tetrahedra. The characteristic feature of the title compound is the absence of cations or H2O moleculesin channel II, while the negative charge of the framework is balanced by the partial protonationof PO4 tetrahedra. The presence of the transition metals at the A-type sites results in the changesof stoichiometry and the local topological features. Topological analysis of the hetero-polyhedralalluaudite-type frameworks and its derivatives (johillerite-, KCd4(VO4)3-, and keyite-type) andquantitative characterization of their differences was performed by means of natural tilings.
Добавил в систему: Дейнеко Дина Валерьевна

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Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3статья

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