Materials Data on Ca2SnO4 by Materials Project
Ca2SnO4 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 2.38–2.82 Å. Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.06 Å) and four longer (2.17 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Sn2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCa4Sn trigonal bipyramids.
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