Abstract

The synthesis and single crystal structure determination of the new bismuth calcium oxovanadate Bi₃Ca₉V₁₁O₄₁ is reported. Bi₃Ca₉V₁₁O₄₁ crystallizes in space group P, a = 9.4099(5), b = 10.0036(6), c = 18.881(1) Å, α = 79.891(2), β = 85.382(2), γ = 89.057(2)°, V = 1744.0(3) Å³ and has been refined to R_F = 3.93%. The unit cell contains a total of 64 atoms in the asymmetric unit. The structure consists of 3 distinct types of V_nO_m polyhedra (10 × VO₄, 2 × V₂O₇, 2 × V₄O₁₄ in the unit cell). Bi and Ca atoms are disordered over 12 sites coordinated by 7–10 oxygens in the range 2.0–3.0 Å, with Bi showing a tendency to adopt structurally less symmetric sites.