Materials Data on Ba2SnO16 by Materials Project

Abstract

Ba2SnO16 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ba2SnO16 sheet oriented in the (0, 1, 0) direction. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.66–3.25 Å. Sn is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.91 Å) and two longer (2.25 Å) Sn–O bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Ba, one Sn, and one O atom. The O–O bond length is 1.33 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ba and one Sn atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom. The O–O bond length is 1.39 Å. In the fifth O site, O is bonded in a water-like geometry to one Ba and one O atom. The O–O bond length is 1.34 Å. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one O atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a single-bond geometry to one O atom.