Materials Data on Co(PO2)2 by Materials Project

Abstract

Co(PO2)2 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one Co(PO2)2 sheet oriented in the (0, 0, 1) direction. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are two shorter (2.01 Å) and four longer (2.21 Å) Co–O bond lengths. There are two inequivalent P2+ sites. In the first P2+ site, P2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.53 Å. In the second P2+ site, P2+ is bonded in a water-like geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co4+ and one P2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one P2+ atom.