Title of article
K1+2xNi1−xFe2(AsO4)3 (x = 0,125): un nouvel arséniate à structure de type α-CrPO4
Author/Authors
Smaila, Ridha Ben Université de Tunis El Manar - Faculté des Sciences de Tunis - Laboratoire de Matériaux - Cristallochimie et Thermodynamique Appliquée, Tunisia , Faouzi Zid, Mohamed Université de Tunis El Manar - Faculté des Sciences de Tunis - Laboratoire de Matériaux - Cristallochimie et Thermodynamique Appliquée, Tunisia
Pages
13
From page
1
To page
13
Abstract
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.
Keywords
crystal structure , CHARDI , Madelung energy , α-CrPO4 , BVS , arsenate
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2017
Record number
2621309
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