Materials Data on CoPNO10 by Materials Project

Abstract

CoPO9NO crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two nitroxyl molecules and two CoPO9 ribbons oriented in the (1, 0, 0) direction. In each CoPO9 ribbon, Co is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.62–2.03 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–1.68 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Co and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Co and one O atom. The O–O bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Co and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one Co atom.