Materials Data on Sr2In2O5 by Materials Project
Sr2In2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.86 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of In–O bond distances ranging from 2.14–2.29 Å. In the second In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with two equivalent InO6 octahedra and corners with two equivalent InO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are two shorter (2.05 Å) and two longer (2.14 Å) In–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent In3+ atoms to form distorted corner-sharing OSr2In2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two In3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two equivalent In3+ atoms.