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Crystal structure of a new salt-inclusion vanadyl(IV) phosphate CaF(H2O)[VO(PO4)], related to sincositeстатья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Yakubovich Olga, Kiriukhina Galina, Elovaya Ruslana
- Журнал: Zeitschrift für Kristallographie – Crystalline Materials
- Том: 241
- Год издания: 2026
- Издательство: Walter de Gruyter
- Местоположение издательства: Berlin, Germany
- DOI: 10.1515/zkri-2026-0008
- Аннотация: The novel phase Ca(VO)F(PO4)·H2O was prepared by hydrothermal synthesis at atemperature of 230oC and a pressure of 100 atm. Its crystal structure was determinedusing single-crystal X-ray diffraction, and refined as an inversion twin against the F2data. The compound crystallizes in the monoclinic space group P21, with unit-cellparameters a = 6.3198(8), b = 6.3230(7), c = 6.5826(10) Å, β = 105.68(2)o, and Z = 2.The structure is based on alternating corner sharing VO5F octahedra and PO4tetrahedra to form layers of 4-connected nets. The negatively charged vanadylphosphate[VO(PO4)]−∞ layers alternate along the [001] and [010] directions with Casalt component [CaF(H2O)]+ that ensures electroneutrality of the compound. Thewater molecules participate in the coordination of Ca atoms, and serve as donors ofbifurcated hydrogen bonds. The compound is a new structural representative of thetopology derived from the VOPO4·2H2O − a mixed protonic-electronic conductor. TheCaF2 salt incorporation in the interlayer space changes the electronic state of V5+ toV4+ and reduces the structure symmetry from tetragonal to monoclinic. TheCa(VO)F(PO4)·H2O is discussed as a new member in the sincosite family of naturaland synthetic compounds, which crystallize as polymorphic modifications.
- Добавил в систему: Якубович Ольга Всеволодовна
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