Single Crystal X-Ray Structural Investigation of Alluaudite Related Monophosphate Na2FeMn2(PO4)3

N. Dridi; El-H. Arbib; El H. Karni; F. Capitelli; B. Elouadi

doi:10.18321/ectj47

Authors

N. Dridi Laboratoire de Chimie du Solide Appliquée, Université Mohammed V-Agdal, avenue Ibn Batouta, B.P. 1014, Rabat, Morocco
El-H. Arbib Laboratoire de Physico-chimie des Matériaux vitreux et cristallisés, Equipe de Physico-Chimie des Matériaux Inorganiques, Université Ibn Tofaïl, Département de Chimie, Kénitra, Morocco
El H. Karni Laboratoire de Chimie du Solide Appliquée, Université Mohammed V-Agdal, avenue Ibn Batouta, B.P. 1014, Rabat, Morocco
F. Capitelli Istituto di Cristallografia (IC-CNR), sezione di Bari, Via Amendola 122/o,70126 Bari, Italy
B. Elouadi Laboratoire d’Elaboration Analyse Chimique et Ingénieurie des Matériaux (LEACIM), Université de la Rochelle, avenue Miche Crépeau, 17042 La Rochelle, France

DOI:

https://doi.org/10.18321/ectj47

Abstract

The compound Na₂FeMn₂(PO₄)₃ has been successfully isolated with the alluaudite structural type. Accurate single crystal X-ray diffraction has allowed solving the structure with reliability factors of R₁ and Rw equal to 0.0322 and 0.0790 respectively. It was found that the symmetry is monoclinic with a space group of C2/c and lattice parameters: a = 12.180(2) Å, b = 12.660(2) Å, c = 6.500(2) Å, B = 114.528(3)(°), unit cell volume = 911.8(3) Å³, Z = 8 and d_cal.=3.618 g.cm^-3. Three-dimensional network is formed by the [MnO₆] octahedra linked in pairs to form Mn-based octahedral dimers: ([Mn₂O₁₀]). Each dimer shares six vertices with six tetrahedra [P(2)O₄] to form sheets within the plane (100). The latter are connected by tetrahedra [P(1)O₄] delimiting cages and tunnels which house either Fe³⁺ or Na⁺ cations. Each [FeO₆] octahedron is linked to two [Mn₂O₁₀] dimers belonging to two adjacent sheets to form mixed Fe-Mn chains of the type: - Fe³⁺ - Mn²⁺ - Mn²⁺ - Fe³⁺ - Mn²⁺ - Mn²⁺ - Fe³⁺ - ..., running along the direction [101].

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