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 RF = 3.93%. The unit cell contains a total of 64 atoms in the asymmetric unit. The structure consists of 3 distinct types of VnOm 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.