Abstract
A new arsenate K1+2x Ni1-x Fe2(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-octa-hedra and AsO4-tetra-hedra 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.
Highlights
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 characterized by qualitative energy dispersive X-ray spectroscopy (EDS)
The crystal structure belongs to the -CrPO4-structure type, space group Imma
Summary
Les phosphates et les arséniates mixtes de métaux de transition et de métaux alcalins présentant des charpentes à tunnels ou des structures en couches constituent un champ prometteur pour diverses applications, notamment dans le domaine du stockage d’énergie comme des matériaux électro-actifs pour les batteries rechargeables au sodium ou lithium (Masquelier et al, 1998; Arroyo-de Dompablo et al, 2006; Nose et al, 2013; Barpanda et al, 2013; Essehli et al, 2015); ces matériaux sont utilisés aussi comme échangeurs ioniques (De la Rochère et al, 1985; Buckley et al, 1987). -xenophyllite (Marzouki et al, 2013), Na4Ni5[(As0,73,P0,27)O4]2[(As0,59,P1,41)O7]2 (Ben Smail & Jouini, 2004), isostructural du phosphate Na4Ni5(PO4)2(P2O7) (Sanz et al, 1999), Na3Ni2(As0,1,P0,9)O4(As1,3,P0,7)O7 et sa limite arséniate qui s’avère un conducteur ionique moyen (Ben Smail & Jouini, 2005), NaNi4(AsO4) (Ben Smail et al, 2002), le premier arséniate de nickel à structure non-centrosymétrique, et. LiNi2As3O10 le premier triarséniate de nickel présentant une structure à tunnels (Ben Smail & Zid, 2017a). Projection d’une couche de la structure de K1,25Ni0,875Fe2(AsO4) selon la direction [010] mettant en jeux les unités [Fe2As2O14]12
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