Materials Data on Ba2BiSbO6 by Materials Project

Abstract

Ba2BiSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.81 Å. Bi3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Bi–O bond lengths are 2.44 Å. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.20 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+, one Bi3+, and one O2- atom to form a mixture of distorted edge and corner-sharing OBa2BiO trigonal pyramids. The O–O bond length is 1.49 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Ba2+ and one Sb5+ atom.