Crystal structure of silver strontium copper orthophosphate, AgSr4Cu4.5(PO4)6

Autor: Jamal Khmiyas, Elhassan Benhsina, Said Ouaatta, Abderrazzak Assani, Mohamed Saadi, Lahcen El Ammari
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 2, Pp 186-191 (2020)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989020000109
Popis: Crystals of the new compound, AgSr4Cu4.5(PO4)6, were grown successfully by the hydrothermal process. The asymmetric unit of the crystal structure of the title compound contains 40 independent atoms (4 Sr, 4.5 Cu, 1 Ag, 6 P and 24 O), which are all in general positions except for one Cu atom, which is located on an inversion centre. The Cu atoms are arranged in CuOn (n = 4 or 5) polyhedra, linked through common oxygen corners to build a rigid three-dimensional motif. The connection of these copper units is assured by PO4 tetrahedra. This arrangement allows the construction of layers extending parallel to the (100) plane and hosts suitable cavities in which Ag+ and Sr2+ cations are located. The crystal-structure cohesion is ensured by ionic bonds between the silver and strontium cations and the oxygen anions belonging to two adjacent sheets. Charge-distribution analysis and bond-valence-sum calculations were used to validate the structural model.
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