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 2.39–3.14 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.93 Å) and two longer (3.02 Å) Bi–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.43–2.48 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sb5+, and two O2- atoms. There is one shorter (1.71 Å) and one longer (2.24 Å) O–O bond length. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ba2+, one Bi3+, one Sb5+, and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Bi3+, one Sb5+, and two O2- atoms. The O–O bond length is 1.42 Å.