Materials Data on Ta2SnO7 by Materials Project

Abstract

Ta2SnO7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.90–2.22 Å. Sn4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 1.94–2.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth O2- site, O2- is bonded to two equivalent Ta5+ and two equivalent Sn4+ atoms to form a mixture of corner and edge-sharing OTa2Sn2 tetrahedra.