Materials Data on Sr8Co6Cl4O15 by Materials Project

Abstract

Sr8Co6O15Cl4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.68–2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to four O2- and five equivalent Cl1- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.59 Å. There are a spread of Sr–Cl bond distances ranging from 2.99–3.34 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to five O2- and one Cl1- atom to form corner-sharing CoClO5 square pyramids. There are a spread of Co–O bond distances ranging from 1.96–1.99 Å. The Co–Cl bond length is 3.02 Å. In the second Co3+ site, Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is three shorter (1.86 Å) and two longer (1.95 Å) Co–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Sr2+ and two Co3+ atoms. In the second O2- site, O2- is bonded in a distorted octahedral geometry to four Sr2+ and two equivalent Co3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Co3+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Co3+ atoms. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Co3+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Co3+ atoms. In the seventh O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Co3+ atoms. Cl1- is bonded in a 6-coordinate geometry to five equivalent Sr2+ and one Co3+ atom.