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  Scopus ID: 21100926589

Elaboration, Characterization and Structural Study of a Novel Phosphate (Cd,Co)5(HPO4)2(PO4)2.4H2O with the Hureaulite Structure Type

Chaymae El Alami, Jamal Khmiyas, Mohammed Hadouchi, Abderrazzak Assani, Mohamed Saadi and Lahcen El Ammari

Abstract

Single crystals of the novel phosphate (Cd,Co)5(HPO4)2(PO4)2.4H2O have been elaborated under mild hydrothermal conditions and analyzed by single-crystal X-ray diffraction. The title compound crystallizes in the Hureaulite-type structure (space group C2/c, a = 17.5744(9) Å, b = 9.0723(5) Å, c = 9.4866(5) Å, β = 96.67(3)°, V = 1502.3(1) Å3 and Z = 4). This structure exhibits a cations positional disorder at two sites. The first one is located on the special Wyckoff position 4e(2) and is fully filled by a mixture of Cd(2)2+/Co(2)2+ with a respective occupancy ratio of 0.34/0.66. The second one is located on the general position 8f, fully occupied by both Cd(1)2+/Co(1)2+. The principal building units are more or less distorted [(Cd(1)/Co(1))O5(OH2)], [(Cd(2)/Co(2))O6], and [Co(3)O4(OH2)2] octahedra with two kinds of regular PO4 and HPO4 tetrahedra. This crystal structure results from octahedral pentameric units M5IIO16(OH2)6 made up of edge-sharing extending parallel to [001] direction. These adjacent entities are interconnected and also linked to each other by the connecting PO4 and HPO4 units via common corners so as to build a three-dimensional framework delimiting large holes along the c-axis hosting the water molecules. Bond-valence-sum (BVS) and charge-distribution (CD) methods were applied to validate the suggested structural model.

Published on: September 29, 2023
doi: 10.17756/nwj.2023-s2-064
Citation: El Alami C, Khmiyas J, Hadouchi M, Assani A, Saadi M, et al. 2023. Elaboration, Characterization and Structural Study of a Novel Phosphate (Cd,Co)5(HPO4)2(PO4)2.4H2O with the Hureaulite Structure Type. NanoWorld J 9(S2): S378-S382.

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