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  Scopus ID: 21100926589

Hydrothermal Synthesis and Crystal Structure of a Novel Phosphate: CdMn4(HPO4)2(PO4)2.4H2O

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

Abstract

The new cadmium and manganese-based phosphate CdMn4(HPO4)2(PO4)2.4H2O, was synthesized by a hydrothermal method and its structure investigated by single crystal X-ray diffraction. The accuracy of the resulting structural model was verified using the Bond-Valence-Sum (BVS) and Charge-Distribution (CD) methods. This phase is a new member of the Hureaulite family and crystallizes within the monoclinic system (space group C2/c, a = 17.6932(5) Å, b = 9.1862(3) Å, c = 9.5417(3) Å, β = 96.562(1)°, and Z = 4). In this crystal structure the metal cations are statically distributed over three independent sites. The first two are located at the general position 8f and are entirely filled by Cd(1)2+/Mn(1)2+ and Cd(3)2+/Mn(3)2+ while the remaining site is situated at the special position 4e(2) and fully occupied by Cd(2)2+/Mn(2). The main structural groups of the asymmetric unit consist of three distorted [(Cd(1)/Mn(1))O5(OH2)], [(Cd(2)/Mn(2))O6], and [(Cd(3)/Mn(3))O4(OH2)2] octahedra with two regular PO4 and HPO4 tetrahedra. The 3D-structure is made up of five sequential octahedral (Cd/Mn)5 O16(OH2)6 units of edge-sharing running along the [001] direction. The connecting PO4 and HPO4 groups bind the interconnected units to one another by corners-sharing to create a 3D-framework defining a sizable void along the [001] direction hosting some H2O molecules.

Published on: September 29, 2023
doi: 10.17756/nwj.2023-s2-065
Citation: El Alami C, Khmiyas J, Hadouchi M, Assani A, Saadi M, et al. 2023. Hydrothermal Synthesis and Crystal Structure of a Novel Phosphate: CdMn4(HPO4)2(PO4)2.4H2O. NanoWorld J 9(S2): S383-S388.

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