Materials Data on Co(PO5)2 by Materials Project

Abstract

Co(PO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Co(PO5)2 sheet oriented in the (-1, 0, 2) direction. Co is bonded to six O atoms to form CoO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.64–2.06 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Co and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Co atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Co and one P atom.