Abstract
The title compound, potassium sodium dioxidomolybdenum(VI) arsenate, K0.78Na0.22MoO2AsO4, was synthesized by a solid-state reaction route. The structure is built up from corner-sharing MoO6 octahedra and AsO4 tetrahedra, creating infinite [MoAsO8]∞ chains running along the b-axis direction. As, Mo and all but one O atom are on special positions (4c) with m symmetry and K (occupancy 0.78) is on a position (4a) of -1 in the tunnels. The possible motion of the alkali cations has been investigated by means of the bond-valance sum (BVS) model. The simulation shows that the Na+ motion appears to be easier mainly along the b-axis direction. Structural relationships between the different compounds of the AMoO2AsO4 (A = Ag, Li, Na, K, Rb) series and MXO8 (M = V; X = P, As) chains are discussed.
Highlights
The title compound, potassium sodium dioxidomolybdenum(VI) arsenate, K0.78Na0.22MoO2AsO4, was synthesized by a solid-state reaction route
The structure is built up from corner-sharing MoO6 octahedra and AsO4 tetrahedra, creating infinite [MoAsO8]1 chains running along the b-axis direction
Mo and all but one O atom are on special positions (4c) with m symmetry and K is on a position (4a) of 1 symmetry
Summary
The structure is built up from corner-sharing MoO6 octahedra and AsO4 tetrahedra, creating infinite [MoAsO8]1 chains running along the b-axis direction. Mo and all but one O atom are on special positions (4c) with m symmetry and K (occupancy 0.78) is on a position (4a) of 1 symmetry. The Na+ ions (occupancy 0.22) are located in the tunnels. The possible motion of the alkali cations has been investigated by means of the bond-valance sum (BVS) model. The simulation shows that the Na+ motion appears to be easier mainly along the b-axis direction. Structural relationships between the different compounds of the AMoO2AsO4 (A = Ag, Li, Na, K, Rb) series and MXO8 (M = V; X = P, As) chains are discussed
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