Materials Data on Cs2Sr2O3 by Materials Project

Abstract

Cs2Sr2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.42 Å. Sr2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing SrO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.41–2.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Sr2+ atoms to form corner-sharing OCs4Sr2 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three equivalent Sr2+ atoms.