Materials Data on Sr5Mn5O13 by Materials Project

Sr5Mn5O13 crystallizes in the tetragonal P4/m space group. The structure is two-dimensional and consists of one Mn5O8 sheet oriented in the (0, 0, 1) direction and one SrO sheet oriented in the (0, 0, 1) direction. In the Mn5O8 sheet, there are two inequivalent Mn+3.20+ sites. In the first Mn+3.20+ site, Mn+3.20+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.88 Å. In the second Mn+3.20+ site, Mn+3.20+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Mn–O bond distances ranging from 1.77–1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Mn+3.20+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Mn+3.20+ atoms. In the SrO sheet, there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Sr–O bond lengths are 2.52 Å. In the second Sr2+ site, Sr2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Sr–O bond lengths are 2.52 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Sr2+ atoms.