KBa4Bi3O crystallizes in the centrosymmetric tetragonal space group I4/mcm.
In this compound, bismuth is present as two anionic species, i.e. Bi-2(4-)
dumbbells [Bi-Bi 3.113 (3) Angstrom] and isolated Bi3-. Atom Bi1 (Bi3-) li
es inside a bicapped square antiprism (2 x K and 8 x Ba). Atom Bi2, which f
orms the Bi-2(4-) dumbbell, sits inside a bicapped distorted trigonal prism
(2 x K and 6 x Ba). O atoms occupy tetrahedral voids between Ba atoms.