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

Acta Crystallographica Section E: Crystallographic Communications

Zid, M.F.²  Ben Smail, R.⁴ 

[1] de Carthage, Institut Préde Tunis El Manar, Facultédes Sciences de Tunis, Laboratoire de MatéUniversitée, 2092 El Manar II, Tunis, Tunisia;nieurs de Nabeul, Campus Universitaire, 8000 Mrazka, Nabeul, Tunisia;paratoire aux Etudes d'Ingériaux, Cristallochimie et Thermodynamique Appliqué

关键词: CRYSTAL STRUCTURE;    CHARDI;    ARSENATE;    BVS;    [ALPHA]-CRPO4;    MADELUNG ENERGY;   

DOI  :  10.1107/S2056989017000950

学科分类：数学（综合）

来源: International Union of Crystallography

【 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】

CC BY