Serveur d'exploration sur le cobalt au Maghreb

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Structure cristalline de K3NbAs2O9

Identifieur interne : 001517 ( Main/Exploration ); précédent : 001516; suivant : 001518

Structure cristalline de K3NbAs2O9

Auteurs : Mohamed Faouzi Zid [Tunisie] ; Tahar Jouini [Tunisie] ; Noureddine Jouini [Tunisie] ; Mohamed Omezzine [Tunisie]

Source :

RBID : ISTEX:788977AC67088A34EDF5579FDE5E3B75D4A77DE1

Abstract

Abstract: K3NbAs2O9 is a new compound of Mr = 503.4: orthorhombic, Pnma, a = 22.389(6), b = 5.436(1), c = 7.870(2) Å, V = 957.8 Å3, Z = 4, ρ = 3.495 g/cm3, AgKα, λ = 0.5608 Å, μ = 97.6 cm−1, F(000) = 1287, R = 0.050, wR = 0.046 for 661 independent reflections. The structure contains chains of AsO4 tetrahedra and NbO6 octahedra sharing corners. They are staggered and connected by NbO(5)As bridges to form «puckeredå layers parallel to the bc plane. The K+ ions, located in channels communicating by the interlayer spaces, contribute mainly by holding together chains belonging to the same layer. Although the niobium atom is off-center in an “O6” octahedron and forms a short NbOaxial(1) distance and a long NbOaxial(5) distance, the hypothesis of square pyramidal coordination is rejected by showing indirectly the influence of the Nb atom on O(5) from a comparison between the AsOequatorial and the AsO(5) distances in the NbOAs bridges. The structure of β-TaH(PO4)2 (three-dimensional anion) derives from that of K3NbAs2O9 (two-dimensional) through the sharing of the homolog of O(1) between successive layers, thus locking the communication between the channels containing the H+ ions.

Url:
DOI: 10.1016/0022-4596(89)90216-8


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<div type="abstract" xml:lang="en">Abstract: K3NbAs2O9 is a new compound of Mr = 503.4: orthorhombic, Pnma, a = 22.389(6), b = 5.436(1), c = 7.870(2) Å, V = 957.8 Å3, Z = 4, ρ = 3.495 g/cm3, AgKα, λ = 0.5608 Å, μ = 97.6 cm−1, F(000) = 1287, R = 0.050, wR = 0.046 for 661 independent reflections. The structure contains chains of AsO4 tetrahedra and NbO6 octahedra sharing corners. They are staggered and connected by NbO(5)As bridges to form «puckeredå layers parallel to the bc plane. The K+ ions, located in channels communicating by the interlayer spaces, contribute mainly by holding together chains belonging to the same layer. Although the niobium atom is off-center in an “O6” octahedron and forms a short NbOaxial(1) distance and a long NbOaxial(5) distance, the hypothesis of square pyramidal coordination is rejected by showing indirectly the influence of the Nb atom on O(5) from a comparison between the AsOequatorial and the AsO(5) distances in the NbOAs bridges. The structure of β-TaH(PO4)2 (three-dimensional anion) derives from that of K3NbAs2O9 (two-dimensional) through the sharing of the homolog of O(1) between successive layers, thus locking the communication between the channels containing the H+ ions.</div>
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