Abstract
The novel arsenate Na5.2Cu1.9Al(AsO4)4 was synthesized using solid-state reaction route. Single crystal X-ray diffraction experiment revealed that the title compound crystallizes in a triclinic space group P-1 with a = 5.111(3) Å; b = 7.577(2) Å; c = 9.332(4) Å, α = 88.73(3)°, β = 75.74(5)°, γ = 89.56(4)° and Z = 2. The structural model was supported by bond valence sum (BVS) and charge distribution (CHARDI) validation tools. The crystal structure is based on an open 3D framework made up of CuO4 square planar units, MO5 square-based pyramids and AsO4 tetrahedra sharing corners. The framework tunnels in [100] direction accommodate the Na ions. AC impedance spectroscopy studies show that the conductivity is 1.49 × 10−5 S cm−1 at 575 °C and the activation energy is 1.14 eV. In addition, probable diffusion pathways of Na ions in the structure were simulated using the bond valence sum (BVS) maps method.
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