A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na5Zn[Zn(PO4)3]

Yakubovich, O.V.; Kiriukhina, G.V.; Volkov, A.S.; Dimitrova, O.V.

Авторы: Yakubovich O.V., Kiriukhina G.V., Volkov A.S., Dimitrova O.V.
Журнал: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Том: 81
Номер: 1
Год издания: 2025
Издательство: International Union of Crystallography
Местоположение издательства: United Kingdom
Первая страница: 62
Последняя страница: 68
DOI: 10.1107/S2052520624011156
Аннотация: A microporous zincophosphate with the idealized formula Na5Zn[Zn(PO4)3] was obtained through high-temperature hydrothermal synthesis and characterized by scanning electron microscopy,microprobe analysis and X-ray diffraction. The orthorhombic compound, whichcrystallizes in non-centrosymmetric space group Pna21 with unit-sell parameters a=12.9901(2), b=16.2647(3), c=5.2158(1)A˚ and Z=4, is characterized by a new structure type.Each ZnO4 tetrahedron shares all O atoms with four phosphate tetrahedra to form groups of fivepolyhedra, that are further linked via oxygen-bridging contacts of Zn-and P-centered tetrahedra in chains aligned in the c-axis direction. These one-periodic structural fragments [Zn(PO4)3]7 define the prismatic habitus of the crystals. The negatively charged zincophosphate chains are balanced byNa+ cations, disposed in an open space between the chains, and somewhat ‘diluted’ with Zn2+,Ca2+ and Mn2+ions as impurities. A rare case of the Na/Zn occupation of one structural site was found in the structure. Theoretical calculations of possible pathways of alkali metal ion migration through the structure and activation energies revealed that the Li-substituted counterpart Li5Zn[Zn(PO4)3] can beconsidered as a potential solidelectrolyte
Добавил в систему: Якубович Ольга Всеволодовна

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A rare case of Na/Zn isomorphism in the crystal structure of non-centrosymmetric zincophosphate Na5Zn[Zn(PO4)3]статья

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