Materials Data on Ca2Sn2O5 by Materials Project

Ca2Sn2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.84 Å. Sn3+ is bonded to five O2- atoms to form corner-sharing SnO5 square pyramids. There are a spread of Sn–O bond distances ranging from 2.11–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Ca2+ and two equivalent Sn3+ atoms to form distorted edge-sharing OCa4Sn2 octahedra. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+ and two equivalent Sn3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+ and two equivalent Sn3+ atoms.