Crystal structure of the ordered perovskite: BaBi0.5Sb0.5O3
Fu WT, de Gelder R, de Graaff RAG
MATERIALS RESEARCH BULLETIN 32 (6): 657-662 JUN 1997

Abstract:
The structure of BaBi0.5Sb0.5O3 is determined by single crystal X-ray diffraction. It is an ordered perovskite, having rhombohedral symmetry, space group R (3) over bar m (No. 166), with lattice parameters a = 6.043(1) Angstrom and alpha = 60.05(2)degrees. The final agreement factor R based on F-2 for 6420 reflections was 0.052. An important structural feature of BaBi0.5Sb0.5O3 is the displacements of oxygen atoms from their ideal positions within the pseudo-cubic [110](p) planes, creating an alternative arrangement of (larger) BiO6 and (smaller) SbO6 octahedra. Therefore, the valence states of bismuth and antimony can be readily assigned as Bi(III) and Sb(V).