Crystal growth, structure elucidation and CHARDI/BVS investigations of β-KCoFe(PO4)2
| Autor: | Adam Bouraima, Said Ouaatta, Jamal Khmiyas, Jean Jacques Anguilè, Thomas Makani, Abderrazzak Assani, Mohamed Saadi, Lahcen El Ammari |
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| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 7, Pp 746-749 (2022) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989022006521 |
| Popis: | Single crystals of β-KCoFe(PO4)2, potassium cobalt(II) iron(III) bis(orthophosphate), were grown from the melt under atmospheric conditions. This phosphate crystallizes isotypically with KZnFe(PO4)2 in space group C2/c, adopting a zeolite-ABW type of structure. The structure of the present phosphate is distinguished by an occupational disorder of the two transition-metal sites with ratios Fe:Co of 0.5725:0.4275 for the first and 0.4275:0.5725 for the second site. In the crystal structure, PO4 and (Co,Fe)O4 tetrahedra are linked through vertices to form elliptical rings with the sequence DDDDUUUU of up (U) and down (D) pointing vertices. Each eight-membered ring is surrounded by four other rings of the same type, delimiting interstices with rectangular shape. This arrangement leads to the formation of [(Co/Fe)(PO4)]−∞ sheets parallel to (001). Stacking of the sheets into a three-dimensional framework results in the formation of two types of channels. The first one is occupied by potassium cations, whereas the second one remains vacant. Calculations of bond-valence sums and charge distribution were used to confirm the structure model. |
| Databáze: | Directory of Open Access Journals |
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