Materials Data on KMn4O8 by Materials Project

Abstract

KMn4O8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two manganese hydroxide (mn(oh)2) molecules and one KMn2O4 sheet oriented in the (0, -1, 1) direction. In the KMn2O4 sheet, K1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.48 Å) and two longer (2.97 Å) K–O bond lengths. There are two inequivalent Mn+3.75+ sites. In the first Mn+3.75+ site, Mn+3.75+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.43 Å. In the second Mn+3.75+ site, Mn+3.75+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.57 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one Mn+3.75+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one Mn+3.75+ atom.