K1+2xNi1−xFe2(AsO4)3 (x = 0,125): un nouvel arséniate à structure de type α-CrPO4

Acta Crystallographica Section E: Crystallographic Communications

Ridha Ben Smail¹  Mohamed Faouzi Zid¹ 

[1] Université de Tunis El Manar, Faculté des Sciences de Tunis, Laboratoire de Matériaux, Cristallochimie et Thermodynamique Appliquée, 2092 El Manar II, Tunis, Tunisia;

关键词: crystal structure;    CHARDI;    arsenate;    BVS;    α-CrPO4;    Madelung energy;   

DOI  :  10.1107/S2056989017000950

来源: DOAJ

【 摘 要 】

A new arsenate K1+2xNi1−xFe2(AsO4)3 (x = 1/8) {potassium nickel diiron(III) tris[arsenate(V)]} was synthesized using a flux method and its crystal structure was determined from single-crystal X-ray diffraction data. This material was also characterized by qualitative energy dispersive X-ray spectroscopy (EDS) analysis. The crystal structure belongs to the α-CrPO4-structure type, space group Imma. It consists of a three-dimensional-framework built up from FeO6 and Ni0.875□1.25O6-octahedra and AsO4-tetrahedra that are sharing corners and/or edges, generating tunnels running along the [010] and [001] directions in which the potassium cations are located. The proposed structural model was validated by bond-valence-sum calculations, charge-distribution (CHARDI) and Madelung energy analyses.

【 授权许可】

Unknown