Materials Data on Sr2Co2O5 by Materials Project

Abstract

Sr2Co2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–3.17 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.84 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.78–2.01 Å. In the second Co3+ site, Co3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Co–O bond distances ranging from 1.76–2.52 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Co3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one Co3+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and two Co3+ atoms.